(2R)-4-amino-4-oxo-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid

C12H16N4O4 — CID 107826189

IUPAC(2R)-4-amino-4-oxo-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
SMILESCC(NC(=O)N[C@H](CC(N)=O)C(=O)O)c1ccccn1
InChIInChI=1S/C12H16N4O4/c1-7(8-4-2-3-5-14-8)15-12(20)16-9(11(18)19)6-10(13)17/h2-5,7,9H,6H2,1H3,(H2,13,17)(H,18,19)(H2,15,16,20)/t7?,9-/m1/s1
InChIKeyNALNLUXLUUDOPY-NHSZFOGYSA-N
MW280.28 g/mol
LogP-0.23
Rot. Bonds6

About (2R)-4-amino-4-oxo-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid

(2R)-4-amino-4-oxo-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid (PubChem CID 107826189) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is (2R)-4-amino-4-oxo-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-4-oxo-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
PubChem CID107826189
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name(2R)-4-amino-4-oxo-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
SMILESCC(NC(=O)N[C@H](CC(N)=O)C(=O)O)c1ccccn1
InChIInChI=1S/C12H16N4O4/c1-7(8-4-2-3-5-14-8)15-12(20)16-9(11(18)19)6-10(13)17/h2-5,7,9H,6H2,1H3,(H2,13,17)(H,18,19)(H2,15,16,20)/t7?,9-/m1/s1
InChIKeyNALNLUXLUUDOPY-NHSZFOGYSA-N
XLogP-0.23
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 ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 61198086
(2S)-2-(1-pyridin-2-ylethylcarbamoylamino)pentanoic acid
CID 107566198
4-methoxy-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 62480587
3-methyl-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 61197140
(2S)-4-amino-2-[1-(2-fluorophenyl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 63718664
(2R)-4-amino-2-[1-(2-fluorophenyl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 107826890
3-(1-pyridin-2-ylethylamino)butanamide
CID 115572776
1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea
CID 75415056
(2S)-2-hydroxy-3-(1-pyridin-2-ylethylcarbamoylamino)propanoic acid
CID 107838423
(2S)-4-amino-4-oxo-2-(2-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 63714896
3-amino-N-(1-pyridin-2-ylethyl)butanamide;dihydrochloride
CID 119830348
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-4-oxo-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid?
The IUPAC name of (2R)-4-amino-4-oxo-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid (CID 107826189) is (2R)-4-amino-4-oxo-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid.
What is the SMILES notation for (2R)-4-amino-4-oxo-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid?
The canonical SMILES for (2R)-4-amino-4-oxo-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid is CC(NC(=O)N[C@H](CC(N)=O)C(=O)O)c1ccccn1.
What is the InChIKey of (2R)-4-amino-4-oxo-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid?
The InChIKey is NALNLUXLUUDOPY-NHSZFOGYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-7(8-4-2-3-5-14-8)15-12(20)16-9(11(18)19)6-10(13)17/h2-5,7,9H,6H2,1H3,(H2,13,17)(H,18,19)(H2,15,16,20)/t7?,9-/m1/s1.
What are the key properties of (2R)-4-amino-4-oxo-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid?
(2R)-4-amino-4-oxo-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid has a molecular weight of 280.28 g/mol, XLogP of -0.23, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-4-oxo-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid is sourced from PubChem (CID 107826189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).