(2R)-2-[1-(4-fluorophenyl)ethylcarbamoylamino]-3-hydroxypropanoic acid

C12H15FN2O4 — CID 80755966

IUPAC(2R)-2-[1-(4-fluorophenyl)ethylcarbamoylamino]-3-hydroxypropanoic acid
SMILESCC(NC(=O)N[C@H](CO)C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2O4/c1-7(8-2-4-9(13)5-3-8)14-12(19)15-10(6-16)11(17)18/h2-5,7,10,16H,6H2,1H3,(H,17,18)(H2,14,15,19)/t7?,10-/m1/s1
InChIKeyFCWIJNKEZBIHAO-OMNKOJBGSA-N
MW270.26 g/mol
LogP0.63
Rot. Bonds5

About (2R)-2-[1-(4-fluorophenyl)ethylcarbamoylamino]-3-hydroxypropanoic acid

(2R)-2-[1-(4-fluorophenyl)ethylcarbamoylamino]-3-hydroxypropanoic acid (PubChem CID 80755966) has the molecular formula C12H15FN2O4 and a molecular weight of 270.26 g/mol. Its IUPAC name is (2R)-2-[1-(4-fluorophenyl)ethylcarbamoylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[1-(4-fluorophenyl)ethylcarbamoylamino]-3-hydroxypropanoic acid
PubChem CID80755966
Molecular FormulaC12H15FN2O4
Molecular Weight270.26 g/mol
Exact Mass270.10
IUPAC Name(2R)-2-[1-(4-fluorophenyl)ethylcarbamoylamino]-3-hydroxypropanoic acid
SMILESCC(NC(=O)N[C@H](CO)C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2O4/c1-7(8-2-4-9(13)5-3-8)14-12(19)15-10(6-16)11(17)18/h2-5,7,10,16H,6H2,1H3,(H,17,18)(H2,14,15,19)/t7?,10-/m1/s1
InChIKeyFCWIJNKEZBIHAO-OMNKOJBGSA-N
XLogP0.63
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-hydroxy-2-(1-phenylethylcarbamoylamino)propanoic acid
CID 61189105
4-hydroxy-2-(1-phenylethylcarbamoylamino)butanoic acid
CID 61244988
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
CID 27868374
(2R)-3-hydroxy-2-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 106283393
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
(2R)-2-[1-(3-fluorophenyl)ethylcarbamoylamino]pentanoic acid
CID 107566523
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(1-phenylethyl)urea
CID 110893367
3-[ethyl-[1-(4-fluorophenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 62853029
(2S)-2-[1-(4-methylphenyl)ethylcarbamoylamino]hexanoic acid
CID 107145758
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
5-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-methyl-5-oxopentanoic acid
CID 81351821
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxybutanamide
CID 81349027

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(4-fluorophenyl)ethylcarbamoylamino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[1-(4-fluorophenyl)ethylcarbamoylamino]-3-hydroxypropanoic acid (CID 80755966) is (2R)-2-[1-(4-fluorophenyl)ethylcarbamoylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[1-(4-fluorophenyl)ethylcarbamoylamino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[1-(4-fluorophenyl)ethylcarbamoylamino]-3-hydroxypropanoic acid is CC(NC(=O)N[C@H](CO)C(=O)O)c1ccc(F)cc1.
What is the InChIKey of (2R)-2-[1-(4-fluorophenyl)ethylcarbamoylamino]-3-hydroxypropanoic acid?
The InChIKey is FCWIJNKEZBIHAO-OMNKOJBGSA-N. The full InChI is InChI=1S/C12H15FN2O4/c1-7(8-2-4-9(13)5-3-8)14-12(19)15-10(6-16)11(17)18/h2-5,7,10,16H,6H2,1H3,(H,17,18)(H2,14,15,19)/t7?,10-/m1/s1.
What are the key properties of (2R)-2-[1-(4-fluorophenyl)ethylcarbamoylamino]-3-hydroxypropanoic acid?
(2R)-2-[1-(4-fluorophenyl)ethylcarbamoylamino]-3-hydroxypropanoic acid has a molecular weight of 270.26 g/mol, XLogP of 0.63, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(4-fluorophenyl)ethylcarbamoylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80755966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).