2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid

C12H15FN2O3 — CID 3657012

IUPAC2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid
SMILESCC(NC(=O)NCCc1ccccc1F)C(=O)O
InChIInChI=1S/C12H15FN2O3/c1-8(11(16)17)15-12(18)14-7-6-9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyJKYHUIFBKZGCIG-UHFFFAOYSA-N
MW254.26 g/mol
LogP1.14
Rot. Bonds5

About 2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid

2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid (PubChem CID 3657012) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid
PubChem CID3657012
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Name2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid
SMILESCC(NC(=O)NCCc1ccccc1F)C(=O)O
InChIInChI=1S/C12H15FN2O3/c1-8(11(16)17)15-12(18)14-7-6-9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyJKYHUIFBKZGCIG-UHFFFAOYSA-N
XLogP1.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanamide
CID 42928317
2-[2-(2-fluorophenyl)ethylcarbamoylamino]-4-methylpentanoic acid
CID 4222728
1-[2-(2-fluorophenyl)ethyl]-3-pentan-3-ylurea
CID 108888420
1-benzhydryl-3-[2-(2-fluorophenyl)ethyl]urea
CID 41304292
(2R)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanoic acid
CID 113363047
1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895025
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid
CID 30120740
2-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]propanoic acid
CID 61183611
3-[2-(2-fluorophenyl)ethylcarbamoylamino]-2-methoxypropanoic acid
CID 106109609
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 60597967
N-[2-(2-fluorophenyl)ethyl]-N'-(1-phenylethyl)propanediamide
CID 108945881

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid?
The IUPAC name of 2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid (CID 3657012) is 2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid.
What is the SMILES notation for 2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid?
The canonical SMILES for 2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid is CC(NC(=O)NCCc1ccccc1F)C(=O)O.
What is the InChIKey of 2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid?
The InChIKey is JKYHUIFBKZGCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-8(11(16)17)15-12(18)14-7-6-9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid?
2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid has a molecular weight of 254.26 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid is sourced from PubChem (CID 3657012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).