2-(phenylcarbamoylamino)propanoic acid

C10H12N2O3 — CID 3854733

IUPAC2-(phenylcarbamoylamino)propanoic acid
SMILESCC(NC(=O)Nc1ccccc1)C(=O)O
InChIInChI=1S/C10H12N2O3/c1-7(9(13)14)11-10(15)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,13,14)(H2,11,12,15)
InChIKeySWIUEMANOAFYHY-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.28
Rot. Bonds3

About 2-(phenylcarbamoylamino)propanoic acid

2-(phenylcarbamoylamino)propanoic acid (PubChem CID 3854733) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-(phenylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-(phenylcarbamoylamino)propanoic acid
PubChem CID3854733
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-(phenylcarbamoylamino)propanoic acid
SMILESCC(NC(=O)Nc1ccccc1)C(=O)O
InChIInChI=1S/C10H12N2O3/c1-7(9(13)14)11-10(15)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,13,14)(H2,11,12,15)
InChIKeySWIUEMANOAFYHY-UHFFFAOYSA-N
XLogP1.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(phenylcarbamoylamino)propanoic acid?
The IUPAC name of 2-(phenylcarbamoylamino)propanoic acid (CID 3854733) is 2-(phenylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-(phenylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-(phenylcarbamoylamino)propanoic acid is CC(NC(=O)Nc1ccccc1)C(=O)O.
What is the InChIKey of 2-(phenylcarbamoylamino)propanoic acid?
The InChIKey is SWIUEMANOAFYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-7(9(13)14)11-10(15)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-(phenylcarbamoylamino)propanoic acid?
2-(phenylcarbamoylamino)propanoic acid has a molecular weight of 208.22 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylcarbamoylamino)propanoic acid is sourced from PubChem (CID 3854733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).