(2S)-2,4-diamino-4-methylpentanoic acid

C6H14N2O2 — CID 54315966

IUPAC(2S)-2,4-diamino-4-methylpentanoic acid
SMILESCC(C)(N)C[C@H](N)C(=O)O
InChIInChI=1S/C6H14N2O2/c1-6(2,8)3-4(7)5(9)10/h4H,3,7-8H2,1-2H3,(H,9,10)/t4-/m0/s1
InChIKeySOEQCBCPOVXETB-BYPYZUCNSA-N
MW146.19 g/mol
LogP-0.47
Rot. Bonds3

About (2S)-2,4-diamino-4-methylpentanoic acid

(2S)-2,4-diamino-4-methylpentanoic acid (PubChem CID 54315966) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is (2S)-2,4-diamino-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2,4-diamino-4-methylpentanoic acid
PubChem CID54315966
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name(2S)-2,4-diamino-4-methylpentanoic acid
SMILESCC(C)(N)C[C@H](N)C(=O)O
InChIInChI=1S/C6H14N2O2/c1-6(2,8)3-4(7)5(9)10/h4H,3,7-8H2,1-2H3,(H,9,10)/t4-/m0/s1
InChIKeySOEQCBCPOVXETB-BYPYZUCNSA-N
XLogP-0.47
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4,4-dimethylpentanoic acid;chloromethane
CID 175588190
4-amino-2,4-dimethylpentanoic acid
CID 20501045
2-amino-4,4-difluoropentanoic acid;hydrochloride
CID 87665395
(2S)-2-amino-5,5,5-trideuterio-4,4-dimethylpentanoic acid
CID 162641870
(2S)-2,5,5-triaminohexanoic acid
CID 178040033
(2S)-2-amino-5-fluoro-4,4-dimethylpentanoic acid
CID 129061039
3,6-diamino-4,6-dimethylheptan-2-one
CID 130436042
2-amino-4,4,6,6,8-pentamethylnonanoic acid
CID 145315535
(2S)-2-amino-4-fluorosulfanyl-4-methylpentanoic acid
CID 142291582
2-amino-4-methyl-4-nitropentanoic acid
CID 11469376
(2S)-2-amino-4,4-dimethylpentanoic acid;(2S)-2-amino-4-methylpentanoic acid
CID 18635634
(2S)-2-amino-4-methyl-4-nitropentanoic acid
CID 154154915

Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-diamino-4-methylpentanoic acid?
The IUPAC name of (2S)-2,4-diamino-4-methylpentanoic acid (CID 54315966) is (2S)-2,4-diamino-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2,4-diamino-4-methylpentanoic acid?
The canonical SMILES for (2S)-2,4-diamino-4-methylpentanoic acid is CC(C)(N)C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2,4-diamino-4-methylpentanoic acid?
The InChIKey is SOEQCBCPOVXETB-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-6(2,8)3-4(7)5(9)10/h4H,3,7-8H2,1-2H3,(H,9,10)/t4-/m0/s1.
What are the key properties of (2S)-2,4-diamino-4-methylpentanoic acid?
(2S)-2,4-diamino-4-methylpentanoic acid has a molecular weight of 146.19 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-diamino-4-methylpentanoic acid is sourced from PubChem (CID 54315966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).