(2S,3S)-2-amino-3-(113C)methylpentanoic acid

C6H13NO2 — CID 10606774

IUPAC(2S,3S)-2-amino-3-(113C)methylpentanoic acid
SMILESCC[C@H]([13CH3])[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/i2+1
InChIKeyAGPKZVBTJJNPAG-JRLCGLOZSA-N
MW132.17 g/mol
LogP0.44
Rot. Bonds3

About (2S,3S)-2-amino-3-(113C)methylpentanoic acid

(2S,3S)-2-amino-3-(113C)methylpentanoic acid (PubChem CID 10606774) has the molecular formula C6H13NO2 and a molecular weight of 132.17 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-(113C)methylpentanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-(113C)methylpentanoic acid
PubChem CID10606774
Molecular FormulaC6H13NO2
Molecular Weight132.17 g/mol
Exact Mass132.10
IUPAC Name(2S,3S)-2-amino-3-(113C)methylpentanoic acid
SMILESCC[C@H]([13CH3])[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/i2+1
InChIKeyAGPKZVBTJJNPAG-JRLCGLOZSA-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 ≤ 500132.17
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
(2S,3R)-2-amino-3-methylpentanoic acid;hydrate
CID 162355380
sodium (2S,3S)-2-amino-3-methylpentanoic acid
CID 71594993
2-amino-3-methylpentanoic acid;azane
CID 87185080
2-amino-3-methylpentanoic acid;manganese
CID 175109832
2-amino-3-methylpentanoic acid;hydrochloride
CID 13000955
lithium;(2S,3S)-2-amino-3-methylpentanoic acid;hydride
CID 173147542
bis((2S,3S)-2-amino-3-methylpentanoic acid);formaldehyde
CID 174851375
2-amino-3-hydroxybutanoic acid;2-amino-3-methylpentanoic acid
CID 22316344
2-amino-3-methylpentanoic acid;sulfuric acid
CID 87083473
2-aminoacetic acid;(2R)-2-amino-3-methylpentanoic acid
CID 87257190
2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopropanoic acid
CID 18783681

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-(113C)methylpentanoic acid?
The IUPAC name of (2S,3S)-2-amino-3-(113C)methylpentanoic acid (CID 10606774) is (2S,3S)-2-amino-3-(113C)methylpentanoic acid.
What is the SMILES notation for (2S,3S)-2-amino-3-(113C)methylpentanoic acid?
The canonical SMILES for (2S,3S)-2-amino-3-(113C)methylpentanoic acid is CC[C@H]([13CH3])[C@H](N)C(=O)O.
What is the InChIKey of (2S,3S)-2-amino-3-(113C)methylpentanoic acid?
The InChIKey is AGPKZVBTJJNPAG-JRLCGLOZSA-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/i2+1.
What are the key properties of (2S,3S)-2-amino-3-(113C)methylpentanoic acid?
(2S,3S)-2-amino-3-(113C)methylpentanoic acid has a molecular weight of 132.17 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-(113C)methylpentanoic acid is sourced from PubChem (CID 10606774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).