2-[(4-phenylphenyl)carbamoylamino]propanoic acid

C16H16N2O3 — CID 62254578

IUPAC2-[(4-phenylphenyl)carbamoylamino]propanoic acid
SMILESCC(NC(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C16H16N2O3/c1-11(15(19)20)17-16(21)18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,19,20)(H2,17,18,21)
InChIKeyQJPCYSOYOAXNNE-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.95
Rot. Bonds4

About 2-[(4-phenylphenyl)carbamoylamino]propanoic acid

2-[(4-phenylphenyl)carbamoylamino]propanoic acid (PubChem CID 62254578) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[(4-phenylphenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-[(4-phenylphenyl)carbamoylamino]propanoic acid
PubChem CID62254578
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name2-[(4-phenylphenyl)carbamoylamino]propanoic acid
SMILESCC(NC(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C16H16N2O3/c1-11(15(19)20)17-16(21)18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,19,20)(H2,17,18,21)
InChIKeyQJPCYSOYOAXNNE-UHFFFAOYSA-N
XLogP2.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(4-fluorophenyl)carbamoylamino]propanoic acid
CID 20848024
2-[(4-ethylphenyl)carbamoylamino]propanoic acid
CID 4026936
(2S)-2-[[4-(dimethylamino)phenyl]carbamoylamino]propanoic acid
CID 78967872
1-benzhydryl-3-(4-phenylphenyl)urea
CID 108867015
(2R)-2-[(3,4-dimethylphenyl)carbamoylamino]propanoic acid
CID 54991355
2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoic acid
CID 43170816
(2S)-2-[(3,4-dichlorophenyl)carbamoylamino]propanoic acid
CID 945760
(2R)-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid
CID 51428415
N-(4-phenylphenyl)acetamide
CID 19998
N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148415
N-[3-[1-[(4-phenylphenyl)carbamoylamino]ethyl]phenyl]acetamide
CID 47032022
(2S)-2-[(4-propoxyphenyl)carbamoylamino]propanoic acid
CID 55059835

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylphenyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-[(4-phenylphenyl)carbamoylamino]propanoic acid (CID 62254578) is 2-[(4-phenylphenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-[(4-phenylphenyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-[(4-phenylphenyl)carbamoylamino]propanoic acid is CC(NC(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)O.
What is the InChIKey of 2-[(4-phenylphenyl)carbamoylamino]propanoic acid?
The InChIKey is QJPCYSOYOAXNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11(15(19)20)17-16(21)18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[(4-phenylphenyl)carbamoylamino]propanoic acid?
2-[(4-phenylphenyl)carbamoylamino]propanoic acid has a molecular weight of 284.31 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylphenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 62254578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).