2-[(2-fluorophenyl)carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid

C16H15FN2O4 — CID 16776990

IUPAC2-[(2-fluorophenyl)carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
SMILESO=C(Nc1ccccc1F)NC(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C16H15FN2O4/c17-12-3-1-2-4-13(12)18-16(23)19-14(15(21)22)9-10-5-7-11(20)8-6-10/h1-8,14,20H,9H2,(H,21,22)(H2,18,19,23)
InChIKeyVUWXTJQBOQXZIR-UHFFFAOYSA-N
MW318.30 g/mol
LogP2.35
Rot. Bonds5

About 2-[(2-fluorophenyl)carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid

2-[(2-fluorophenyl)carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid (PubChem CID 16776990) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-[(2-fluorophenyl)carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
PubChem CID16776990
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name2-[(2-fluorophenyl)carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
SMILESO=C(Nc1ccccc1F)NC(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C16H15FN2O4/c17-12-3-1-2-4-13(12)18-16(23)19-14(15(21)22)9-10-5-7-11(20)8-6-10/h1-8,14,20H,9H2,(H,21,22)(H2,18,19,23)
InChIKeyVUWXTJQBOQXZIR-UHFFFAOYSA-N
XLogP2.35
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.35
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
(R)-2-[(S)-3-(3-Hydroxy-phenyl)-1-((S)-3-methyl-1-phenylcarbamoyl-butylcarbamoyl)-propylamino]-propionic acid
CID 44460358
(R)-2-[(S)-3-(4-Hydroxy-phenyl)-1-((S)-3-methyl-1-phenylcarbamoyl-butylcarbamoyl)-propylamino]-propionic acid
CID 44460370
(2S)-3-(4-hydroxyphenyl)-2-[[(2R)-2-[[2-[[(2S)-3-phenyl-2-[2-[(N-propanoylanilino)methyl]piperidin-1-yl]propanoyl]amino]acetyl]amino]propanoyl]amino]propanoic acid
CID 127035664
N-(anilinocarbonyl)tyrosine
CID 2926832
(R)-2-[(S)-3-(2-Hydroxy-phenyl)-1-((S)-3-methyl-1-phenylcarbamoyl-butylcarbamoyl)-propylamino]-propionic acid
CID 44460359
1-(2-Fluorophenyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea
CID 47071658
3-Phenyl-2-[({[4-(trifluoromethoxy)phenyl]amino} carbonyl)amino]propanoic acid
CID 3957823
N-(2-fluorophenyl)-4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 16815516
(S)-3-(4-Hydroxy-phenyl)-2-(3-phenyl-ureido)-propionic acid ethyl ester
CID 44281598
deamino-Phe(4-F)-Tyr-Gly-Tyr-NHPh
CID 46879189

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-[(2-fluorophenyl)carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid (CID 16776990) is 2-[(2-fluorophenyl)carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-[(2-fluorophenyl)carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-[(2-fluorophenyl)carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid is O=C(Nc1ccccc1F)NC(Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of 2-[(2-fluorophenyl)carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid?
The InChIKey is VUWXTJQBOQXZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c17-12-3-1-2-4-13(12)18-16(23)19-14(15(21)22)9-10-5-7-11(20)8-6-10/h1-8,14,20H,9H2,(H,21,22)(H2,18,19,23).
What are the key properties of 2-[(2-fluorophenyl)carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid?
2-[(2-fluorophenyl)carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid has a molecular weight of 318.30 g/mol, XLogP of 2.35, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 16776990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).