(4S)-4-amino-2-methyl-5-oxo-5-pyridin-2-ylpentanoic acid

C11H14N2O3 — CID 175055439

IUPAC(4S)-4-amino-2-methyl-5-oxo-5-pyridin-2-ylpentanoic acid
SMILESCC(C[C@H](N)C(=O)c1ccccn1)C(=O)O
InChIInChI=1S/C11H14N2O3/c1-7(11(15)16)6-8(12)10(14)9-4-2-3-5-13-9/h2-5,7-8H,6,12H2,1H3,(H,15,16)/t7?,8-/m0/s1
InChIKeyDCXQGMNMLOVIIE-MQWKRIRWSA-N
MW222.24 g/mol
LogP0.70
Rot. Bonds5

About (4S)-4-amino-2-methyl-5-oxo-5-pyridin-2-ylpentanoic acid

(4S)-4-amino-2-methyl-5-oxo-5-pyridin-2-ylpentanoic acid (PubChem CID 175055439) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (4S)-4-amino-2-methyl-5-oxo-5-pyridin-2-ylpentanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-2-methyl-5-oxo-5-pyridin-2-ylpentanoic acid
PubChem CID175055439
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(4S)-4-amino-2-methyl-5-oxo-5-pyridin-2-ylpentanoic acid
SMILESCC(C[C@H](N)C(=O)c1ccccn1)C(=O)O
InChIInChI=1S/C11H14N2O3/c1-7(11(15)16)6-8(12)10(14)9-4-2-3-5-13-9/h2-5,7-8H,6,12H2,1H3,(H,15,16)/t7?,8-/m0/s1
InChIKeyDCXQGMNMLOVIIE-MQWKRIRWSA-N
XLogP0.70
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-oxo-3-pyridin-2-ylpropanoic acid
CID 116920563
2-methyl-1-pyridin-2-ylhex-4-en-1-one
CID 131866661
(3S)-3-amino-4-methyl-1-pyridin-2-ylpentan-1-one
CID 89242036
2-anilino-1-pyridin-2-ylpropan-1-one
CID 160887436
1-aminoethyl pyridine-2-carboxylate
CID 141264689
2,2-diethoxy-1-pyridin-2-ylethanone
CID 13057565
(2S)-4-methyl-2-(1-pyridin-2-ylethylideneamino)pentanoic acid
CID 102026365
N-(2-amino-4-methylpentyl)pyridine-2-carboxamide
CID 107158631
gadolinium;pyridine-2-carboxylic acid
CID 175231422
2,3-dihydroxybutanedioic acid;pyridine-2-carboxamide
CID 174601902
bis((2S)-2-hydroxy-2-phenylacetic acid);bis(pyridine-2-carboxamide)
CID 139198136
(2S,4R)-4-amino-2-methyl-5-[4-[(pyridin-2-yldisulfanyl)methyl]phenyl]pentanoic acid
CID 130300545

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-2-methyl-5-oxo-5-pyridin-2-ylpentanoic acid?
The IUPAC name of (4S)-4-amino-2-methyl-5-oxo-5-pyridin-2-ylpentanoic acid (CID 175055439) is (4S)-4-amino-2-methyl-5-oxo-5-pyridin-2-ylpentanoic acid.
What is the SMILES notation for (4S)-4-amino-2-methyl-5-oxo-5-pyridin-2-ylpentanoic acid?
The canonical SMILES for (4S)-4-amino-2-methyl-5-oxo-5-pyridin-2-ylpentanoic acid is CC(C[C@H](N)C(=O)c1ccccn1)C(=O)O.
What is the InChIKey of (4S)-4-amino-2-methyl-5-oxo-5-pyridin-2-ylpentanoic acid?
The InChIKey is DCXQGMNMLOVIIE-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7(11(15)16)6-8(12)10(14)9-4-2-3-5-13-9/h2-5,7-8H,6,12H2,1H3,(H,15,16)/t7?,8-/m0/s1.
What are the key properties of (4S)-4-amino-2-methyl-5-oxo-5-pyridin-2-ylpentanoic acid?
(4S)-4-amino-2-methyl-5-oxo-5-pyridin-2-ylpentanoic acid has a molecular weight of 222.24 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-2-methyl-5-oxo-5-pyridin-2-ylpentanoic acid is sourced from PubChem (CID 175055439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).