2-cyano-3-(pyridin-3-ylcarbamoylamino)propanoic acid

C10H10N4O3 — CID 67946283

IUPAC2-cyano-3-(pyridin-3-ylcarbamoylamino)propanoic acid
SMILESN#CC(CNC(=O)Nc1cccnc1)C(=O)O
InChIInChI=1S/C10H10N4O3/c11-4-7(9(15)16)5-13-10(17)14-8-2-1-3-12-6-8/h1-3,6-7H,5H2,(H,15,16)(H2,13,14,17)
InChIKeyJDQGTCFXCKBETE-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.43
Rot. Bonds4

About 2-cyano-3-(pyridin-3-ylcarbamoylamino)propanoic acid

2-cyano-3-(pyridin-3-ylcarbamoylamino)propanoic acid (PubChem CID 67946283) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-cyano-3-(pyridin-3-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-cyano-3-(pyridin-3-ylcarbamoylamino)propanoic acid
PubChem CID67946283
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name2-cyano-3-(pyridin-3-ylcarbamoylamino)propanoic acid
SMILESN#CC(CNC(=O)Nc1cccnc1)C(=O)O
InChIInChI=1S/C10H10N4O3/c11-4-7(9(15)16)5-13-10(17)14-8-2-1-3-12-6-8/h1-3,6-7H,5H2,(H,15,16)(H2,13,14,17)
InChIKeyJDQGTCFXCKBETE-UHFFFAOYSA-N
XLogP0.43
TPSA115.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(pyridin-3-ylcarbamoylamino)methyl]pentanoic acid
CID 65218136
3-(pyridin-3-ylcarbamoylamino)propanoic acid
CID 61187643
1-(2-hydroxy-2-pyridin-3-ylethyl)-3-phenylurea
CID 23996231
1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-pyridin-3-ylurea
CID 18101910
1-[2-(azepan-1-yl)-2-phenylethyl]-3-pyridin-3-ylurea
CID 118775624
1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea
CID 15665739
(2S)-2-cyano-N-phenyl-3-pyridin-3-ylpropanamide
CID 863695
N-(cyanomethyl)-N'-pyridin-3-yloxamide
CID 43315640
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-pyridin-3-ylurea
CID 18101908
4-methyl-2-(pyridin-3-ylcarbamoylamino)pentanoic acid
CID 61187819
1-[(pyridin-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436667
1-anilino-3-pyridin-3-ylurea
CID 47127655

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(pyridin-3-ylcarbamoylamino)propanoic acid?
The IUPAC name of 2-cyano-3-(pyridin-3-ylcarbamoylamino)propanoic acid (CID 67946283) is 2-cyano-3-(pyridin-3-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-cyano-3-(pyridin-3-ylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-cyano-3-(pyridin-3-ylcarbamoylamino)propanoic acid is N#CC(CNC(=O)Nc1cccnc1)C(=O)O.
What is the InChIKey of 2-cyano-3-(pyridin-3-ylcarbamoylamino)propanoic acid?
The InChIKey is JDQGTCFXCKBETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c11-4-7(9(15)16)5-13-10(17)14-8-2-1-3-12-6-8/h1-3,6-7H,5H2,(H,15,16)(H2,13,14,17).
What are the key properties of 2-cyano-3-(pyridin-3-ylcarbamoylamino)propanoic acid?
2-cyano-3-(pyridin-3-ylcarbamoylamino)propanoic acid has a molecular weight of 234.22 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(pyridin-3-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 67946283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).