3-(N-carbamoylanilino)propanoic acid

C10H12N2O3 — CID 768985

IUPAC3-(N-carbamoylanilino)propanoic acid
SMILESNC(=O)N(CCC(=O)O)c1ccccc1
InChIInChI=1S/C10H12N2O3/c11-10(15)12(7-6-9(13)14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,15)(H,13,14)
InChIKeyFFQLMOLDTSZBCK-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.05
Rot. Bonds4

About 3-(N-carbamoylanilino)propanoic acid

3-(N-carbamoylanilino)propanoic acid (PubChem CID 768985) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-(N-carbamoylanilino)propanoic acid.

Molecular Properties

Compound Name3-(N-carbamoylanilino)propanoic acid
PubChem CID768985
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name3-(N-carbamoylanilino)propanoic acid
SMILESNC(=O)N(CCC(=O)O)c1ccccc1
InChIInChI=1S/C10H12N2O3/c11-10(15)12(7-6-9(13)14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,15)(H,13,14)
InChIKeyFFQLMOLDTSZBCK-UHFFFAOYSA-N
XLogP1.05
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(N-carbamoylanilino)propanoic acid?
The IUPAC name of 3-(N-carbamoylanilino)propanoic acid (CID 768985) is 3-(N-carbamoylanilino)propanoic acid.
What is the SMILES notation for 3-(N-carbamoylanilino)propanoic acid?
The canonical SMILES for 3-(N-carbamoylanilino)propanoic acid is NC(=O)N(CCC(=O)O)c1ccccc1.
What is the InChIKey of 3-(N-carbamoylanilino)propanoic acid?
The InChIKey is FFQLMOLDTSZBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c11-10(15)12(7-6-9(13)14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,15)(H,13,14).
What are the key properties of 3-(N-carbamoylanilino)propanoic acid?
3-(N-carbamoylanilino)propanoic acid has a molecular weight of 208.22 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-carbamoylanilino)propanoic acid is sourced from PubChem (CID 768985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).