(2S)-2-aminopentanoic acid

• ChemBase ID: 3190
• Molecular Formular: C5H11NO2
• Molecular Mass: 117.14634
• Monoisotopic Mass: 117.0789786
• SMILES: CCC[C@H](N)C(=O)O
• Canonical SMILES: CCC[C@@H](C(=O)O)N
• InChI: InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
• InChIKey: SNDPXSYFESPGGJ-BYPYZUCNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-aminopentanoic acid
• IUPAC Traditional name: norvaline
• Synonyms: 2-Amino-Pentanoic Acid; (S)-2-Aminopentanoic acid; (2S)-2-aminopentanoic acid; L-2-Aminopentanoic acid; L-2-Aminovaleric acid; L-NORVALINE; (S)-2-Aminovaleric acid; (S)-(+)-2-Aminopentanoic acid; L-Norvaline; Norvaline; L-正缬氨酸

Database IDs

• CAS Number: 6600-40-4
• EC Number: 229-543-3
• MDL Number: MFCD00063861; MFCD00064421
• Beilstein Number: 1721162
• Merck Index: 146716
• PubChem SID: 46505945; 160966634; 24897833; 46507762
• PubChem CID: 65098

CALCULATED PROPERTIES

JChem

• Acid pKa: 2.7136745
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.8736948
• LogD (pH = 7.4): -1.8761299
• Log P: -1.8733752
• Molar Refractivity: 29.6223 cm^3
• Polarizability: 12.004493 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: -2.04
• LOG S: 0.26
• Solubility (Water): 2.12e+02 g/l

PROPERTIES

Physical Property

• Melting Point: >300 °C(lit.); >300°C
• Optical Rotation: [α]20/D +25±1°, c = 10% in 20% HCl; +25 (c=10 in 20% HCl)
• Hydrophobicity(logP): -2.066

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: IRRITANT
• German water hazard class: 3
• TSCA Listed: false; 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99.0% (NT); 95%; 95+%; 97%; 99%
• Ignition Residue: ≤0.05%
• Linear Formula: CH3CH2CH2CH(NH2)CO2H

DETAILS

MP Biomedicals - 02102495

Crystalline

MP Biomedicals - 05202956

MP Biomedicals Rare Chemical collection

DrugBank - DB03519

Drug information: experimental

DrugBank - DB04185

Drug information: experimental

Sigma Aldrich - N7627

包装
1, 5, 10 g in poly bottle
Biochem/physiol Actions
L-Norvaline enhances NO production from activated macrophages.

Sigma Aldrich - 74650

Other Notes
Competitive inhibitor of ornithine carbamyltransferase (transcarbamylase)1,2