2-[3-(3-phenylpropanoylamino)phenyl]acetic acid

C17H17NO3 — CID 28759486

IUPAC2-[3-(3-phenylpropanoylamino)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)CCc2ccccc2)c1
InChIInChI=1S/C17H17NO3/c19-16(10-9-13-5-2-1-3-6-13)18-15-8-4-7-14(11-15)12-17(20)21/h1-8,11H,9-10,12H2,(H,18,19)(H,20,21)
InChIKeyDXBKMDSJRNZVND-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.88
Rot. Bonds6

About 2-[3-(3-phenylpropanoylamino)phenyl]acetic acid

2-[3-(3-phenylpropanoylamino)phenyl]acetic acid (PubChem CID 28759486) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[3-(3-phenylpropanoylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(3-phenylpropanoylamino)phenyl]acetic acid
PubChem CID28759486
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2-[3-(3-phenylpropanoylamino)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)CCc2ccccc2)c1
InChIInChI=1S/C17H17NO3/c19-16(10-9-13-5-2-1-3-6-13)18-15-8-4-7-14(11-15)12-17(20)21/h1-8,11H,9-10,12H2,(H,18,19)(H,20,21)
InChIKeyDXBKMDSJRNZVND-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

5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid
CID 17222888
3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid
CID 28759682
2-[3-(hexanoylamino)phenyl]acetic acid
CID 65345952
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
CID 54795568
2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]acetic acid
CID 119351665
3-phenyl-N-[3-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide
CID 17223129
3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 112765575
2-[3-[[4-(2-acetamidoethylamino)-4-oxobutanoyl]amino]phenyl]acetic acid
CID 119352064
2-[3-[3-(2,5-dimethoxyphenyl)propanoylamino]phenyl]acetic acid
CID 119352036
3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 17233492
2-[3-[(6-amino-4-methylhexanoyl)amino]phenyl]acetic acid
CID 65350517
2-[3-[(6-amino-4,4-dimethylhexanoyl)amino]phenyl]acetic acid
CID 65349861

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-phenylpropanoylamino)phenyl]acetic acid?
The IUPAC name of 2-[3-(3-phenylpropanoylamino)phenyl]acetic acid (CID 28759486) is 2-[3-(3-phenylpropanoylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(3-phenylpropanoylamino)phenyl]acetic acid?
The canonical SMILES for 2-[3-(3-phenylpropanoylamino)phenyl]acetic acid is O=C(O)Cc1cccc(NC(=O)CCc2ccccc2)c1.
What is the InChIKey of 2-[3-(3-phenylpropanoylamino)phenyl]acetic acid?
The InChIKey is DXBKMDSJRNZVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-16(10-9-13-5-2-1-3-6-13)18-15-8-4-7-14(11-15)12-17(20)21/h1-8,11H,9-10,12H2,(H,18,19)(H,20,21).
What are the key properties of 2-[3-(3-phenylpropanoylamino)phenyl]acetic acid?
2-[3-(3-phenylpropanoylamino)phenyl]acetic 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 2-[3-(3-phenylpropanoylamino)phenyl]acetic acid is sourced from PubChem (CID 28759486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).