4-amino-2-methylpentanoic acid

C6H13NO2 — CID 22105024

IUPAC4-amino-2-methylpentanoic acid
SMILESCC(N)CC(C)C(=O)O
InChIInChI=1S/C6H13NO2/c1-4(6(8)9)3-5(2)7/h4-5H,3,7H2,1-2H3,(H,8,9)
InChIKeyLQVGFAZAFLLLQE-UHFFFAOYSA-N
MW131.17 g/mol
LogP0.44
Rot. Bonds3

About 4-amino-2-methylpentanoic acid

4-amino-2-methylpentanoic acid (PubChem CID 22105024) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is 4-amino-2-methylpentanoic acid.

Molecular Properties

Compound Name4-amino-2-methylpentanoic acid
PubChem CID22105024
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name4-amino-2-methylpentanoic acid
SMILESCC(N)CC(C)C(=O)O
InChIInChI=1S/C6H13NO2/c1-4(6(8)9)3-5(2)7/h4-5H,3,7H2,1-2H3,(H,8,9)
InChIKeyLQVGFAZAFLLLQE-UHFFFAOYSA-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

(2S,4S,6R)-6-amino-2,4-dimethylheptanoic acid
CID 94036784
4-amino-2-iodopentanoic acid
CID 163563587
methyl (2S)-4-amino-2-methylpentanoate
CID 88911479
4-amino-2-methyl-5-(methylamino)pentanoic acid
CID 142843506
(2S,6S)-6-amino-2-methylheptanoic acid
CID 93493350
(2S)-5-amino-4-iodo-2-methyl-5-oxopentanoic acid
CID 163867560
4-amino-2-methyl-5-oxo-5-propoxypentanoic acid
CID 154095903
trisodium;(2S)-2-aminopropanoic acid;hydride
CID 174824458
potassium;2-aminopropanoic acid;hydride
CID 173162937
4-(aminomethyl)-2-methylhexanoic acid
CID 177106642
5-amino-2-(methylamino)hexanoic acid
CID 139342913
4-carbamoyl-2-methylhexanoic acid
CID 20783257

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methylpentanoic acid?
The IUPAC name of 4-amino-2-methylpentanoic acid (CID 22105024) is 4-amino-2-methylpentanoic acid.
What is the SMILES notation for 4-amino-2-methylpentanoic acid?
The canonical SMILES for 4-amino-2-methylpentanoic acid is CC(N)CC(C)C(=O)O.
What is the InChIKey of 4-amino-2-methylpentanoic acid?
The InChIKey is LQVGFAZAFLLLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4(6(8)9)3-5(2)7/h4-5H,3,7H2,1-2H3,(H,8,9).
What are the key properties of 4-amino-2-methylpentanoic acid?
4-amino-2-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 4-amino-2-methylpentanoic acid is sourced from PubChem (CID 22105024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).