5-amino-4-methylpentanoic acid

C6H13NO2 — CID 12040127

IUPAC5-amino-4-methylpentanoic acid
SMILESCC(CN)CCC(=O)O
InChIInChI=1S/C6H13NO2/c1-5(4-7)2-3-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
InChIKeyPSNUVGIVZCOHME-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.45
Rot. Bonds4

About 5-amino-4-methylpentanoic acid

5-amino-4-methylpentanoic acid (PubChem CID 12040127) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 5-amino-4-methylpentanoic acid.

Molecular Properties

Compound Name5-amino-4-methylpentanoic acid
PubChem CID12040127
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name5-amino-4-methylpentanoic acid
SMILESCC(CN)CCC(=O)O
InChIInChI=1S/C6H13NO2/c1-5(4-7)2-3-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
InChIKeyPSNUVGIVZCOHME-UHFFFAOYSA-N
XLogP0.45
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

L-Leucine
CID 6106
5-Aminovaleric acid
CID 138
D-Leucine
CID 439524
DL-leucine
CID 857
L-leucinium
CID 5460900
5-Amino-2-mercaptomethylpentanoic acid
CID 20384315
5-Aminovaleric acid hydrochloride
CID 69398
alpha-Methylornithine
CID 2113
2-(Aminomethyl)cyclopropane-1-carboxylic acid
CID 4067175
rel-(1R,2R)-2-(Aminomethyl)cyclopropanecarboxylic acid
CID 1502042
(1R,2R)-2-(Aminomethyl)cyclopropanecarboxylic acid hydrochloride
CID 73350704
(3R)-3-methyl-D-ornithine
CID 51055215

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methylpentanoic acid?
The IUPAC name of 5-amino-4-methylpentanoic acid (CID 12040127) is 5-amino-4-methylpentanoic acid.
What is the SMILES notation for 5-amino-4-methylpentanoic acid?
The canonical SMILES for 5-amino-4-methylpentanoic acid is CC(CN)CCC(=O)O.
What is the InChIKey of 5-amino-4-methylpentanoic acid?
The InChIKey is PSNUVGIVZCOHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-5(4-7)2-3-6(8)9/h5H,2-4,7H2,1H3,(H,8,9).
What are the key properties of 5-amino-4-methylpentanoic acid?
5-amino-4-methylpentanoic acid has a molecular weight of 131.18 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methylpentanoic acid is sourced from PubChem (CID 12040127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).