Benzoyl-L-leucine

HCID 853887

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 1466-83-7
Standard SMILES: CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)O
InChIKey: POLGZPYHEPOBFG-NSHDSACASA-N
Molecular formula: C13H17NO3
Average molar mass: 235.28 g/mol
Monoisotopic mass: 235.1208434

Names & identifiers

Preferred name: Benzoyl-L-leucine
IUPAC: (2S)-2-benzamido-4-methylpentanoic acid
English name: Benzoyl-L-leucine
Molecular formula: C13H17NO3
Molecular weight: 235.28

Names & synonyms

1466-83-7BENZOYL-L-LEUCINERefChem:328330N-Benzoyl-L-leucineL-Leucine, N-benzoyl-benzoylleucineMFCD00190766(2S)-2-benzamido-4-methylpentanoic acidDTXSID901316374N-Benzoyl-L-leucine, >=99.0%AKOS010400584HY-W142035

Show more names

Bz-L-Leu-OHN-benzoyl-L-leuL-Leucine, N-benzoylN-α-Benzoyl-L-leucineN-Benzoyl-L-leucine >=99.0%BENZOYL-L-LEUCINE USP/EP/BP

CS-0201820Bzo-Leu-OH(S)-2-benzamido-4-methylpentanoic acidBz-Leu-OH(2S)-4-METHYL-2-(PHENYLFORMAMIDO)PENTANOIC ACIDCHEMBL22902orb1989862SCHEMBL2158900

Database identifiers

CAS: 1466-83-7
PubChem CID: 853887
DTXSID: DTXSID901316374
ChEMBL: CHEMBL22902
Nikkaji: J231.987J

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 66.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 17
Formal charge: 0
Complexity: 270

Physicochemical properties

Melting point: 102 · 102-103 °C
Boiling point: 458.8 · 458.8±28.0 °C(Predicted)
Density: 1.132 · 1.132±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
solubility: 50 mg/mL, · methanol: soluble50mg/mL, clear, colorless
form: Solid
pka: 3.82 · 3.82±0.10(Predicted)
color: White to off-white
optical activity: 20 · [α]20/D 10.0±1°, c = 1% in methanol
BRN: 2055078 · 2055078
Major Application: peptide synthesis
InChI: 1S/C13H17NO3/c1-9(2)8-11(13(16)17)14-12(15)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,15)(H,16,17)/t11-/m0/s1
InChIKey: POLGZPYHEPOBFG-NSHDSACASA-N
SMILES: CC(C)C[C@H](NC(=O)c1ccccc1)C(O)=O
UNSPSC Code: 12352200 · 12352200
NACRES: 22 · NA.22
PPE: 95 · Eyeshields, Gloves, type N95 (US)
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids