N,N-Di-N-propyl-L-alanine

C₉H₁₉NO₂CAS 81854-56-0173.26 g/mol

Open in Covalent MOL file

Carboxylic acid Tertiary amine

Properties

Molecular formula: C₉H₁₉NO₂
Molar mass: 173.26 g/mol
Exact mass: 173.1416 Da
logP: 1.58Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

81854-56-0

SMILES

CCCN(CCC)[C@@H](C)C(=O)O

InChIKey

GZRZQYMPUHUFSQ-QMMMGPOBSA-N

InChI

InChI=1S/C9H19NO2/c1-4-6-10(7-5-2)8(3)9(11)12/h8H,4-7H2,1-3H3,(H,11,12)/t8-/m0/s1

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Names and synonyms

1 names

N,N-Dipropyl-L-alanine

Work with N,N-Di-N-propyl-L-alanine

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

2-Methylvaleric acid97-61-047 % similar Valproic acid99-66-145 % similar 2-Methylhexanoic acid4536-23-644 % similar 2-Methylheptanoic acid1188-02-943 % similar Butylmalonic acid534-59-842 % similar 1,3-Dihydro-α-methyl-1,3-dioxo-2H-isoindole-2-acetic acid21860-84-442 % similar Pht-ala-oh4192-28-342 % similar D-Norvaline2013-12-941 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

L-Valine tert-butyl ester13211-31-9 (3R,4R)-3-(Aminomethyl)-4,5-dimethylhexanoic acid313651-25-1 1,4-Dihydroxy-2,2,6,6-tetramethylpiperidine3637-10-3 5-[Ethyl(2-hydroxyethyl)amino]-2-pentanone74509-79-8

Elsewhere

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