3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid

C17H17NO3 — CID 28759682

IUPAC3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C17H17NO3/c19-16(12-13-5-2-1-3-6-13)18-15-8-4-7-14(11-15)9-10-17(20)21/h1-8,11H,9-10,12H2,(H,18,19)(H,20,21)
InChIKeyABCIDVMBTJIBEI-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.88
Rot. Bonds6

About 3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid

3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid (PubChem CID 28759682) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid
PubChem CID28759682
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C17H17NO3/c19-16(12-13-5-2-1-3-6-13)18-15-8-4-7-14(11-15)9-10-17(20)21/h1-8,11H,9-10,12H2,(H,18,19)(H,20,21)
InChIKeyABCIDVMBTJIBEI-UHFFFAOYSA-N
XLogP2.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]propanoic acid
CID 115339339
2-[3-(3-phenylpropanoylamino)phenyl]acetic acid
CID 28759486
3-[3-(pentanoylamino)phenyl]propanoic acid
CID 28759634
3-[3-[[2-(carboxymethylsulfanyl)acetyl]amino]phenyl]propanoic acid
CID 120613796
3-[3-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanoic acid
CID 115339893
3-[3-(3-methylsulfonylpropanoylamino)phenyl]propanoic acid
CID 115339297
3-[3-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]phenyl]propanoic acid
CID 120613865
3-[3-[(2-pyrazolo[1,5-a]pyridin-3-ylacetyl)amino]phenyl]propanoic acid
CID 167797489
N,N'-bis[3-[(2-phenylacetyl)amino]phenyl]nonanediamide
CID 17235933
5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid
CID 17222888
3-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]propanoic acid
CID 115339894
3-[3-[3-[3-(methylcarbamoyl)phenyl]propanoylamino]phenyl]propanoic acid
CID 120538125

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid?
The IUPAC name of 3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid (CID 28759682) is 3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid?
The canonical SMILES for 3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid is O=C(O)CCc1cccc(NC(=O)Cc2ccccc2)c1.
What is the InChIKey of 3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid?
The InChIKey is ABCIDVMBTJIBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-16(12-13-5-2-1-3-6-13)18-15-8-4-7-14(11-15)9-10-17(20)21/h1-8,11H,9-10,12H2,(H,18,19)(H,20,21).
What are the key properties of 3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid?
3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid has a molecular weight of 283.33 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 28759682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).