3-(2-carbamoyl-4-chloroanilino)propanoic acid

C10H11ClN2O3 — CID 62492779

IUPAC3-(2-carbamoyl-4-chloroanilino)propanoic acid
SMILESNC(=O)c1cc(Cl)ccc1NCCC(=O)O
InChIInChI=1S/C10H11ClN2O3/c11-6-1-2-8(7(5-6)10(12)16)13-4-3-9(14)15/h1-2,5,13H,3-4H2,(H2,12,16)(H,14,15)
InChIKeyYCFWBPOITPMLRV-UHFFFAOYSA-N
MW242.66 g/mol
LogP1.33
Rot. Bonds5

About 3-(2-carbamoyl-4-chloroanilino)propanoic acid

3-(2-carbamoyl-4-chloroanilino)propanoic acid (PubChem CID 62492779) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is 3-(2-carbamoyl-4-chloroanilino)propanoic acid.

Molecular Properties

Compound Name3-(2-carbamoyl-4-chloroanilino)propanoic acid
PubChem CID62492779
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name3-(2-carbamoyl-4-chloroanilino)propanoic acid
SMILESNC(=O)c1cc(Cl)ccc1NCCC(=O)O
InChIInChI=1S/C10H11ClN2O3/c11-6-1-2-8(7(5-6)10(12)16)13-4-3-9(14)15/h1-2,5,13H,3-4H2,(H2,12,16)(H,14,15)
InChIKeyYCFWBPOITPMLRV-UHFFFAOYSA-N
XLogP1.33
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[(3-aminophenyl)methylamino]-5-chlorobenzamide
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5-chloro-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide
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3-(2-carbamoyl-3-chloroanilino)propanoic acid
CID 62501578
5-chloro-2-(4,4,4-trifluorobutylamino)benzoic acid
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5-chloro-2-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-carbamoyl-4-chloroanilino)propanoic acid?
The IUPAC name of 3-(2-carbamoyl-4-chloroanilino)propanoic acid (CID 62492779) is 3-(2-carbamoyl-4-chloroanilino)propanoic acid.
What is the SMILES notation for 3-(2-carbamoyl-4-chloroanilino)propanoic acid?
The canonical SMILES for 3-(2-carbamoyl-4-chloroanilino)propanoic acid is NC(=O)c1cc(Cl)ccc1NCCC(=O)O.
What is the InChIKey of 3-(2-carbamoyl-4-chloroanilino)propanoic acid?
The InChIKey is YCFWBPOITPMLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c11-6-1-2-8(7(5-6)10(12)16)13-4-3-9(14)15/h1-2,5,13H,3-4H2,(H2,12,16)(H,14,15).
What are the key properties of 3-(2-carbamoyl-4-chloroanilino)propanoic acid?
3-(2-carbamoyl-4-chloroanilino)propanoic acid has a molecular weight of 242.66 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-carbamoyl-4-chloroanilino)propanoic acid is sourced from PubChem (CID 62492779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).