4-[[ethyl(pyridin-4-yl)carbamoyl]amino]-4-oxobutanoic acid

C12H15N3O4 — CID 106936138

IUPAC4-[[ethyl(pyridin-4-yl)carbamoyl]amino]-4-oxobutanoic acid
SMILESCCN(C(=O)NC(=O)CCC(=O)O)c1ccncc1
InChIInChI=1S/C12H15N3O4/c1-2-15(9-5-7-13-8-6-9)12(19)14-10(16)3-4-11(17)18/h5-8H,2-4H2,1H3,(H,17,18)(H,14,16,19)
InChIKeyYJBATBCZYAJWCN-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.01
Rot. Bonds5

About 4-[[ethyl(pyridin-4-yl)carbamoyl]amino]-4-oxobutanoic acid

4-[[ethyl(pyridin-4-yl)carbamoyl]amino]-4-oxobutanoic acid (PubChem CID 106936138) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-[[ethyl(pyridin-4-yl)carbamoyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[ethyl(pyridin-4-yl)carbamoyl]amino]-4-oxobutanoic acid
PubChem CID106936138
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name4-[[ethyl(pyridin-4-yl)carbamoyl]amino]-4-oxobutanoic acid
SMILESCCN(C(=O)NC(=O)CCC(=O)O)c1ccncc1
InChIInChI=1S/C12H15N3O4/c1-2-15(9-5-7-13-8-6-9)12(19)14-10(16)3-4-11(17)18/h5-8H,2-4H2,1H3,(H,17,18)(H,14,16,19)
InChIKeyYJBATBCZYAJWCN-UHFFFAOYSA-N
XLogP1.01
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[ethyl(phenyl)carbamoyl]propanamide
CID 43146327
3-tert-butyl-1-ethyl-1-pyridin-4-ylurea
CID 106934815
5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61102427
3-bromo-N-ethyl-N-pyridin-4-ylpropanamide
CID 106934758
3-[4-(aminomethyl)phenyl]-1-ethyl-1-pyridin-4-ylurea
CID 106936437
4-[[ethyl(phenyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300227
5-amino-N-ethyl-N-pyridin-4-ylhexanamide
CID 106935326
4-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 43563711
(2R)-2-amino-N-ethyl-N-pyridin-4-ylpropanamide
CID 106935605
3-[[ethyl(pyridin-4-yl)sulfamoyl]-methylamino]propanoic acid
CID 106934719
propan-2-yl N-ethyl-N-pyridin-4-ylcarbamate
CID 106934812
3-[ethyl(pyridin-4-ylmethylcarbamoyl)amino]propanoic acid
CID 61194015

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(pyridin-4-yl)carbamoyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[[ethyl(pyridin-4-yl)carbamoyl]amino]-4-oxobutanoic acid (CID 106936138) is 4-[[ethyl(pyridin-4-yl)carbamoyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[ethyl(pyridin-4-yl)carbamoyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[ethyl(pyridin-4-yl)carbamoyl]amino]-4-oxobutanoic acid is CCN(C(=O)NC(=O)CCC(=O)O)c1ccncc1.
What is the InChIKey of 4-[[ethyl(pyridin-4-yl)carbamoyl]amino]-4-oxobutanoic acid?
The InChIKey is YJBATBCZYAJWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-2-15(9-5-7-13-8-6-9)12(19)14-10(16)3-4-11(17)18/h5-8H,2-4H2,1H3,(H,17,18)(H,14,16,19).
What are the key properties of 4-[[ethyl(pyridin-4-yl)carbamoyl]amino]-4-oxobutanoic acid?
4-[[ethyl(pyridin-4-yl)carbamoyl]amino]-4-oxobutanoic acid has a molecular weight of 265.27 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(pyridin-4-yl)carbamoyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 106936138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).