(2R)-4-amino-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid

C12H16N4O4 — CID 107827478

IUPAC(2R)-4-amino-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid
SMILESCc1cccc(CNC(=O)N[C@H](CC(N)=O)C(=O)O)n1
InChIInChI=1S/C12H16N4O4/c1-7-3-2-4-8(15-7)6-14-12(20)16-9(11(18)19)5-10(13)17/h2-4,9H,5-6H2,1H3,(H2,13,17)(H,18,19)(H2,14,16,20)/t9-/m1/s1
InChIKeyQOPRSVOWJNLJCA-SECBINFHSA-N
MW280.28 g/mol
LogP-0.48
Rot. Bonds6

About (2R)-4-amino-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid

(2R)-4-amino-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid (PubChem CID 107827478) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is (2R)-4-amino-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid
PubChem CID107827478
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name(2R)-4-amino-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid
SMILESCc1cccc(CNC(=O)N[C@H](CC(N)=O)C(=O)O)n1
InChIInChI=1S/C12H16N4O4/c1-7-3-2-4-8(15-7)6-14-12(20)16-9(11(18)19)5-10(13)17/h2-4,9H,5-6H2,1H3,(H2,13,17)(H,18,19)(H2,14,16,20)/t9-/m1/s1
InChIKeyQOPRSVOWJNLJCA-SECBINFHSA-N
XLogP-0.48
TPSA134.41 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-4-amino-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-amino-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 63719224
(2S)-4-methoxy-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 63304824
2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]butanoic acid
CID 55057146
(2S)-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pentanedioic acid
CID 62309110
2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]hexanoic acid
CID 62308244
(2S,3S)-3-methyl-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 62306858
4-amino-2-(benzylcarbamoylamino)-4-oxobutanoic acid
CID 61183397
(2S)-4-amino-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 63719043
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 99635583
(2S)-2-(pyridazin-3-ylmethylcarbamoylamino)butanedioic acid
CID 106897236
4-amino-4-oxo-2-(thiophen-3-ylmethylcarbamoylamino)butanoic acid
CID 63244227
(2R)-4-amino-2-[(3-fluorophenyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 107826029

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid (CID 107827478) is (2R)-4-amino-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid is Cc1cccc(CNC(=O)N[C@H](CC(N)=O)C(=O)O)n1.
What is the InChIKey of (2R)-4-amino-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid?
The InChIKey is QOPRSVOWJNLJCA-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-7-3-2-4-8(15-7)6-14-12(20)16-9(11(18)19)5-10(13)17/h2-4,9H,5-6H2,1H3,(H2,13,17)(H,18,19)(H2,14,16,20)/t9-/m1/s1.
What are the key properties of (2R)-4-amino-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid?
(2R)-4-amino-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid has a molecular weight of 280.28 g/mol, XLogP of -0.48, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid is sourced from PubChem (CID 107827478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).