3-(4-hydroxyphenyl)-2-(phenylcarbamoylamino)propanoic acid

C16H16N2O4 — CID 2926832

IUPAC3-(4-hydroxyphenyl)-2-(phenylcarbamoylamino)propanoic acid
SMILESO=C(Nc1ccccc1)NC(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C16H16N2O4/c19-13-8-6-11(7-9-13)10-14(15(20)21)18-16(22)17-12-4-2-1-3-5-12/h1-9,14,19H,10H2,(H,20,21)(H2,17,18,22)
InChIKeyRBZBYAASZSNZCI-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.21
Rot. Bonds5

About 3-(4-hydroxyphenyl)-2-(phenylcarbamoylamino)propanoic acid

3-(4-hydroxyphenyl)-2-(phenylcarbamoylamino)propanoic acid (PubChem CID 2926832) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-(phenylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2-(phenylcarbamoylamino)propanoic acid
PubChem CID2926832
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name3-(4-hydroxyphenyl)-2-(phenylcarbamoylamino)propanoic acid
SMILESO=C(Nc1ccccc1)NC(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C16H16N2O4/c19-13-8-6-11(7-9-13)10-14(15(20)21)18-16(22)17-12-4-2-1-3-5-12/h1-9,14,19H,10H2,(H,20,21)(H2,17,18,22)
InChIKeyRBZBYAASZSNZCI-UHFFFAOYSA-N
XLogP2.21
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-Imidazolidinone, 5-((4-hydroxyphenyl)methyl)-3-phenyl-2-thioxo-
CID 2872399
Tyr-D-Ala-Gly-NMePhe
CID 45483974
2-[4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]anilino]-2-methylpropanoic acid
CID 10690668
2-[4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]anilino]acetic acid
CID 11791723
(S)-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-phenyl-acetic acid
CID 15516230
2-[(4-Chlorophenyl)carbamoylamino]-3-(4-methoxyphenyl)propanoic acid
CID 124092285
(S)-2-[3-(4-Ethoxy-phenyl)-ureido]-3-phenyl-propionic acid
CID 945042
(2S)-2-[(3-methoxyphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 664188
N~4~-(4-hydroxyphenyl)-N~2~-(2-phenylethyl)asparagine
CID 2954398
2-[3-(4-Amino-phenyl)-2-mercaptomethyl-butyrylamino]-3-(4-hydroxy-phenyl)-propionic acid
CID 44267309
3-(4-Hydroxy-phenyl)-2-[3-(4-sulfamoyl-phenyl)-thioureido]-propionic acid
CID 44363440
(R)-2-[(S)-3-(3-Hydroxy-phenyl)-1-((S)-3-methyl-1-phenylcarbamoyl-butylcarbamoyl)-propylamino]-propionic acid
CID 44460358

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2-(phenylcarbamoylamino)propanoic acid?
The IUPAC name of 3-(4-hydroxyphenyl)-2-(phenylcarbamoylamino)propanoic acid (CID 2926832) is 3-(4-hydroxyphenyl)-2-(phenylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2-(phenylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-(4-hydroxyphenyl)-2-(phenylcarbamoylamino)propanoic acid is O=C(Nc1ccccc1)NC(Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of 3-(4-hydroxyphenyl)-2-(phenylcarbamoylamino)propanoic acid?
The InChIKey is RBZBYAASZSNZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c19-13-8-6-11(7-9-13)10-14(15(20)21)18-16(22)17-12-4-2-1-3-5-12/h1-9,14,19H,10H2,(H,20,21)(H2,17,18,22).
What are the key properties of 3-(4-hydroxyphenyl)-2-(phenylcarbamoylamino)propanoic acid?
3-(4-hydroxyphenyl)-2-(phenylcarbamoylamino)propanoic acid has a molecular weight of 300.31 g/mol, XLogP of 2.21, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-2-(phenylcarbamoylamino)propanoic acid is sourced from PubChem (CID 2926832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).