2-(carbamoylamino)-3-(4-phenylphenyl)propanoic acid

C16H16N2O3 — CID 102401839

IUPAC2-(carbamoylamino)-3-(4-phenylphenyl)propanoic acid
SMILESNC(=O)NC(Cc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C16H16N2O3/c17-16(21)18-14(15(19)20)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,19,20)(H3,17,18,21)
InChIKeyDAZFIAADPUQZJI-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.02
Rot. Bonds5

About 2-(carbamoylamino)-3-(4-phenylphenyl)propanoic acid

2-(carbamoylamino)-3-(4-phenylphenyl)propanoic acid (PubChem CID 102401839) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-(carbamoylamino)-3-(4-phenylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(carbamoylamino)-3-(4-phenylphenyl)propanoic acid
PubChem CID102401839
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name2-(carbamoylamino)-3-(4-phenylphenyl)propanoic acid
SMILESNC(=O)NC(Cc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C16H16N2O3/c17-16(21)18-14(15(19)20)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,19,20)(H3,17,18,21)
InChIKeyDAZFIAADPUQZJI-UHFFFAOYSA-N
XLogP2.02
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylpropanoylamino)-3-(4-phenylphenyl)propanoic acid
CID 46842238
(2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylphenyl)propanoic acid
CID 7010375
(2S)-2-[[(2S)-2-(methylamino)-3-(4-phenylphenyl)propanoyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 175824879
(2R)-2-(benzylamino)-3-(4-phenylphenyl)propanoic acid
CID 121475383
2-amino-3-(4-phenylphenyl)propanoic acid;(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 66615741
(2S)-2-[[(2S)-3-methyl-2-sulfanylbutanoyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 25033280
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propanoic acid
CID 4623908
(2S)-3-[4-[3-(carbamoylamino)phenyl]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid
CID 59901422
2-[(2-amino-2-methylpropanoyl)amino]-3-phenylpropanoic acid
CID 61265643
(2S)-3-phenyl-2-[2-(4-phenylphenyl)propan-2-yloxycarbonylamino]propanoic acid
CID 13391242
(2R)-2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]-3-(4-phenylphenyl)propanoic acid
CID 167312432
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-3-(4-phenylphenyl)propanoic acid?
The IUPAC name of 2-(carbamoylamino)-3-(4-phenylphenyl)propanoic acid (CID 102401839) is 2-(carbamoylamino)-3-(4-phenylphenyl)propanoic acid.
What is the SMILES notation for 2-(carbamoylamino)-3-(4-phenylphenyl)propanoic acid?
The canonical SMILES for 2-(carbamoylamino)-3-(4-phenylphenyl)propanoic acid is NC(=O)NC(Cc1ccc(-c2ccccc2)cc1)C(=O)O.
What is the InChIKey of 2-(carbamoylamino)-3-(4-phenylphenyl)propanoic acid?
The InChIKey is DAZFIAADPUQZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c17-16(21)18-14(15(19)20)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,19,20)(H3,17,18,21).
What are the key properties of 2-(carbamoylamino)-3-(4-phenylphenyl)propanoic acid?
2-(carbamoylamino)-3-(4-phenylphenyl)propanoic acid has a molecular weight of 284.31 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-3-(4-phenylphenyl)propanoic acid is sourced from PubChem (CID 102401839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).