2-[(2-phenylacetyl)amino]propanoic acid

C11H13NO3 — CID 564251

IUPAC2-[(2-phenylacetyl)amino]propanoic acid
SMILESCC(NC(=O)Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H13NO3/c1-8(11(14)15)12-10(13)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)(H,14,15)
InChIKeyFDWFFCURSPACFQ-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.82
Rot. Bonds4

About 2-[(2-phenylacetyl)amino]propanoic acid

2-[(2-phenylacetyl)amino]propanoic acid (PubChem CID 564251) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-[(2-phenylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-phenylacetyl)amino]propanoic acid
PubChem CID564251
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-[(2-phenylacetyl)amino]propanoic acid
SMILESCC(NC(=O)Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H13NO3/c1-8(11(14)15)12-10(13)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)(H,14,15)
InChIKeyFDWFFCURSPACFQ-UHFFFAOYSA-N
XLogP0.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylacetyl)amino]propanoic acid?
The IUPAC name of 2-[(2-phenylacetyl)amino]propanoic acid (CID 564251) is 2-[(2-phenylacetyl)amino]propanoic acid.
What is the SMILES notation for 2-[(2-phenylacetyl)amino]propanoic acid?
The canonical SMILES for 2-[(2-phenylacetyl)amino]propanoic acid is CC(NC(=O)Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[(2-phenylacetyl)amino]propanoic acid?
The InChIKey is FDWFFCURSPACFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8(11(14)15)12-10(13)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(2-phenylacetyl)amino]propanoic acid?
2-[(2-phenylacetyl)amino]propanoic acid has a molecular weight of 207.23 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylacetyl)amino]propanoic acid is sourced from PubChem (CID 564251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).