N-Formyl-L-leucine

C₇H₁₃NO₃CAS 6113-61-7159.18 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₇H₁₃NO₃
Molar mass: 159.18 g/mol
Exact mass: 159.0895 Da
Melting point: 142–144 °C
Boiling point: 33–34 °C (at 0.5 Torr)
logP: 1.07Crippen estimate
Polar surface area: 69.9 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Hazards

Warning

H319 Causes serious eye irritation25% of notifiers
H412 Harmful to aquatic life with long lasting effects12.5% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P273, P280, P305+P351+P338, P337+P317, P501

Identifiers

CAS number

6113-61-7

SMILES

CC(C)C[C@H](N=CO)C(=O)O

InChIKey

HFBHOAHFRNLZGN-LURJTMIESA-N

InChI

InChI=1S/C7H13NO3/c1-5(2)3-6(7(10)11)8-4-9/h4-6H,3H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1

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Names and synonyms

7 names

L-Leucine, N-formyl-
Leucine, N-formyl-, L-
N-Formyl-S-leucine
N-Formylleucine
NSC 334321
(S)-(+)-2-Formamido-4-methylpentanoic acid
(2S)-2-Formamido-4-methylpentanoic acid

Work with N-Formyl-L-leucine

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-Formyl-L-aspartic acid19427-28-257 % similar N-Acetyl-L-leucine1188-21-256 % similar Acetylleucine99-15-056 % similar N-Formylmethionine4289-98-955 % similar N-Formylmethionine4309-82-455 % similar N-Formylalanine10512-86-455 % similar N-Formyl-L-valine4289-97-851 % similar N-(2-Chloroacetyl)-L-leucine688-12-051 % similar

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

Same formula

Ethyl morpholine-2-carboxylate107904-06-3 Isovalerylglycine16284-60-9 N-Acetyl-D-valine17916-88-0 N-Acetylvaline3067-19-4 3-Morpholin-4-yl-propionic acid4497-04-5 4'-Tetrahydropyranylglycine53284-84-7 2-Acetamidopentanoic acid7682-15-7 (S)-2-Amino-2-(tetrahydro-2H-pyran-4-yl)acetic acid811842-25-8

Elsewhere

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