4-Phthalimidobutyric acid

C₁₂H₁₁NO₄CAS 3130-75-4233.22 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Lactam

Properties

Molecular formula: C₁₂H₁₁NO₄
Molar mass: 233.22 g/mol
Exact mass: 233.0688 Da
Melting point: 117–118 °C
logP: 1.15Crippen estimate
Polar surface area: 74.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3130-75-4

SMILES

O=C(O)CCCN1C(=O)c2ccccc2C1=O

InChIKey

HMKSXJBFBVGLJJ-UHFFFAOYSA-N

InChI

InChI=1S/C12H11NO4/c14-10(15)6-3-7-13-11(16)8-4-1-2-5-9(8)12(13)17/h1-2,4-5H,3,6-7H2,(H,14,15)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names

2H-Isoindole-2-butanoic acid, 1,3-dihydro-1,3-dioxo-
2-Isoindolinebutyric acid, 1,3-dioxo-
1,3-Dihydro-1,3-dioxo-2H-isoindole-2-butanoic acid
N-Phthalyl-γ-aminobutyric acid
4-Phthalimidobutanoic acid
γ-Phthalimidobutyric acid
NSC 119133
4-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid
4-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)butyric Acid
Phthaloyl γ-aminobutyric acid
4-Phthalimidoylbutyric acid
4-(1,3-Dioxoisoindolin-2-yl)butanoic acid

Work with 4-Phthalimidobutyric acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Phthaloyl-β-alanine3339-73-981 % similar N-Phthaloylglycine4702-13-065 % similar 2-(3-Hydroxypropyl)-1H-isoindole-1,3(2H)-dione883-44-363 % similar N-Butylphthalimide1515-72-658 % similar 2-(4-Bromobutyl)-1H-isoindole-1,3(2H)-dione5394-18-358 % similar N-(3-Bromopropyl)phthalimide5460-29-758 % similar N-(2-Hydroxyethyl)phthalimide3891-07-457 % similar N-(6-Bromohexyl)phthalimide24566-79-857 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

7-Amino-4-methylcoumarin-3-acetic acid106562-32-7 Ethyl 2-(4'-hydroxyphenyl)-1,3-oxazole-4-carboxylate200400-76-6 Methyl 1,4-dihydro-7-methoxy-4-oxo-6-quinolinecarboxylate205448-65-3 Ethyl 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate40059-53-8 Dimethyl indole-2,3-dicarboxylate54781-93-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook