(2S,3S)-2-amino-3-methylpentanoic acid

C6H13NO2 — CID 6306

IUPAC(2S,3S)-2-amino-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](N)C(=O)O
InChIInChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
InChIKeyAGPKZVBTJJNPAG-WHFBIAKZSA-N
MW131.17 g/mol
LogP0.44
Rot. Bonds3

About (2S,3S)-2-amino-3-methylpentanoic acid

(2S,3S)-2-amino-3-methylpentanoic acid (PubChem CID 6306) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methylpentanoic acid
PubChem CID6306
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name(2S,3S)-2-amino-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](N)C(=O)O
InChIInChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
InChIKeyAGPKZVBTJJNPAG-WHFBIAKZSA-N
XLogP0.44
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

L-Leucine
CID 6106
L-Valine
CID 6287
D-Leucine
CID 439524
Alloisoleucine, DL-
CID 99288
2-Amino-3-methylpentanoic acid
CID 791
DL-valine
CID 1182
Leucine zwitterion
CID 7045798
D-Valine
CID 71563
L-Norvaline
CID 65098
(2S,3S)-2-ammonio-3-methylpentanoate
CID 7043901
D-Isoleucine
CID 76551
Alloisoleucine, D-
CID 94206

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methylpentanoic acid?
The IUPAC name of (2S,3S)-2-amino-3-methylpentanoic acid (CID 6306) is (2S,3S)-2-amino-3-methylpentanoic acid.
What is the SMILES notation for (2S,3S)-2-amino-3-methylpentanoic acid?
The canonical SMILES for (2S,3S)-2-amino-3-methylpentanoic acid is CC[C@H](C)[C@H](N)C(=O)O.
What is the InChIKey of (2S,3S)-2-amino-3-methylpentanoic acid?
The InChIKey is AGPKZVBTJJNPAG-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methylpentanoic acid?
(2S,3S)-2-amino-3-methylpentanoic acid has a molecular weight of 131.17 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methylpentanoic acid is sourced from PubChem (CID 6306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).