2-amino-2-methyl-4-oxopentanoic acid

C6H11NO3 — CID 22140646

IUPAC2-amino-2-methyl-4-oxopentanoic acid
SMILESCC(=O)CC(C)(N)C(=O)O
InChIInChI=1S/C6H11NO3/c1-4(8)3-6(2,7)5(9)10/h3,7H2,1-2H3,(H,9,10)
InChIKeyHBDUOPBBUNDYLE-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.23
Rot. Bonds3

About 2-amino-2-methyl-4-oxopentanoic acid

2-amino-2-methyl-4-oxopentanoic acid (PubChem CID 22140646) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-amino-2-methyl-4-oxopentanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-4-oxopentanoic acid
PubChem CID22140646
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name2-amino-2-methyl-4-oxopentanoic acid
SMILESCC(=O)CC(C)(N)C(=O)O
InChIInChI=1S/C6H11NO3/c1-4(8)3-6(2,7)5(9)10/h3,7H2,1-2H3,(H,9,10)
InChIKeyHBDUOPBBUNDYLE-UHFFFAOYSA-N
XLogP-0.23
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-methylbutanoic acid
CID 6971276
4-amino-4-methylpentan-2-one;ethane
CID 142087513
2,7-diamino-2,7-dimethyloctanedioic acid
CID 18936054
2-amino-3-fluoro-2-methylpropanoic acid
CID 10898956
(E,2S)-2-amino-2-methyl-4-oxohept-5-enoic acid
CID 175904609
4,4,5,5-tetramethyloctane-2,7-dione
CID 28679
(E,2S)-2-amino-6-(1-aminoethylideneamino)-4,5-difluoro-2-methylhex-4-enoic acid
CID 57464321
(2S)-2-amino-6-(1-aminoethylideneamino)-4,5-difluoro-2-methylhex-4-enoic acid
CID 90740068
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxypropyl]disulfanyl]-2-methylpropanoic acid;dihydrochloride
CID 175936776
4-amino-5-fluoro-4-methylpentan-2-one
CID 155006438
2-amino-4-butoxy-2-methyl-4-oxobutanoic acid
CID 54294843
4-hydroxy-4-methylpentan-2-one
CID 87257073

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-oxopentanoic acid?
The IUPAC name of 2-amino-2-methyl-4-oxopentanoic acid (CID 22140646) is 2-amino-2-methyl-4-oxopentanoic acid.
What is the SMILES notation for 2-amino-2-methyl-4-oxopentanoic acid?
The canonical SMILES for 2-amino-2-methyl-4-oxopentanoic acid is CC(=O)CC(C)(N)C(=O)O.
What is the InChIKey of 2-amino-2-methyl-4-oxopentanoic acid?
The InChIKey is HBDUOPBBUNDYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4(8)3-6(2,7)5(9)10/h3,7H2,1-2H3,(H,9,10).
What are the key properties of 2-amino-2-methyl-4-oxopentanoic acid?
2-amino-2-methyl-4-oxopentanoic acid has a molecular weight of 145.16 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-oxopentanoic acid is sourced from PubChem (CID 22140646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).