(2R)-2-aminopentanoic acid

• ChemBase ID: 69345
• Molecular Formular: C5H11NO2
• Molecular Mass: 117.14634
• Monoisotopic Mass: 117.0789786
• SMILES: C(=O)([C@H](N)CCC)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-/m1/s1
• InChIKey: SNDPXSYFESPGGJ-SCSAIBSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-aminopentanoic acid
• IUPAC Traditional name: D-ape; D-(-)-norvaline
• Synonyms: D-2-Aminovaleric acid; (R)-2-Aminopentanoic acid; (R)-2-Aminovaleric acid; (R)-(-)-2-Aminopentanoic acid; D(-)-Norvaline; DL-NORVALINE; D-Norvaline; (2R)-2-aminopentanoic acid; (R)-(-)-2-氨基戊酸; (R)-2-氨基戊酸; (R)-2-氨基缬草酸; D-正缬氨酸

Database IDs

• CAS Number: 2013-12-9; 760-78-1
• EC Number: 217-936-2
• MDL Number: MFCD00008097
• Beilstein Number: 1721161
• Merck Index: 146716
• PubChem SID: 24888214; 162035071
• PubChem CID: 439575

CALCULATED PROPERTIES

• 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

PROPERTIES

Physical Property

• Melting Point: >300 °C(lit.); >300°C; ≥300 °C
• Optical Rotation: [α]20/D -24°, c = 10 in 5 M HCl; [α]20/D -25±1°, c = 10% in 20% HCl; -25 (c=10 in 20% HCl)
• Hydrophobicity(logP): -2.066

Safety Information

• 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+%; 98%; 99%
• Grade: puriss.
• Optical Purity: ee: 98% (GLC)
• Ignition Residue: ≤0.05%
• Linear Formula: CH3CH2CH2CH(NH2)CO2H
• Empirical Formula (Hill Notation): C5H11NO2

DETAILS

MP Biomedicals - 05215094

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 851620

Packaging
5 g in glass bottle
Physical form
α-Amino acid analog with unnatural, (R)-configuration