2-cyclopropyl-2-[2-(3-fluorophenyl)ethylcarbamoylamino]propanoic acid

C15H19FN2O3 — CID 61201728

IUPAC2-cyclopropyl-2-[2-(3-fluorophenyl)ethylcarbamoylamino]propanoic acid
SMILESCC(NC(=O)NCCc1cccc(F)c1)(C(=O)O)C1CC1
InChIInChI=1S/C15H19FN2O3/c1-15(13(19)20,11-5-6-11)18-14(21)17-8-7-10-3-2-4-12(16)9-10/h2-4,9,11H,5-8H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyODLZHRLVKWXERR-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.92
Rot. Bonds6

About 2-cyclopropyl-2-[2-(3-fluorophenyl)ethylcarbamoylamino]propanoic acid

2-cyclopropyl-2-[2-(3-fluorophenyl)ethylcarbamoylamino]propanoic acid (PubChem CID 61201728) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-[2-(3-fluorophenyl)ethylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[2-(3-fluorophenyl)ethylcarbamoylamino]propanoic acid
PubChem CID61201728
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name2-cyclopropyl-2-[2-(3-fluorophenyl)ethylcarbamoylamino]propanoic acid
SMILESCC(NC(=O)NCCc1cccc(F)c1)(C(=O)O)C1CC1
InChIInChI=1S/C15H19FN2O3/c1-15(13(19)20,11-5-6-11)18-14(21)17-8-7-10-3-2-4-12(16)9-10/h2-4,9,11H,5-8H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyODLZHRLVKWXERR-UHFFFAOYSA-N
XLogP1.92
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(3-fluorophenyl)propyl]urea
CID 75495361
1-[2-(3-fluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111334518
2-cyclopropyl-3-(3-fluorophenyl)-2-methylpropanoic acid
CID 83153866
2-(2-aminoethylcarbamoylamino)-2-cyclopropylpropanoic acid
CID 61402734
4-[2-(3-fluorophenyl)ethylcarbamoylamino]benzoic acid
CID 108901120
1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
CID 47172429
1-[(E)-2-cyclopentylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea
CID 108911960
1-[2-(3-fluorophenyl)ethyl]-3-(2-methylsulfonylethyl)urea
CID 47481358
1-[2-(3-fluorophenyl)ethyl]-3-(1-phenylethyl)urea
CID 108901143
1-[(E)-2-cyclohexylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea
CID 108912333
(2S,4S)-N-[2-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120618703
2-cyclopropyl-2-[[3-(methylaminomethyl)phenyl]carbamoylamino]propanoic acid
CID 61408631

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[2-(3-fluorophenyl)ethylcarbamoylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[2-(3-fluorophenyl)ethylcarbamoylamino]propanoic acid (CID 61201728) is 2-cyclopropyl-2-[2-(3-fluorophenyl)ethylcarbamoylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[2-(3-fluorophenyl)ethylcarbamoylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[2-(3-fluorophenyl)ethylcarbamoylamino]propanoic acid is CC(NC(=O)NCCc1cccc(F)c1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[2-(3-fluorophenyl)ethylcarbamoylamino]propanoic acid?
The InChIKey is ODLZHRLVKWXERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-15(13(19)20,11-5-6-11)18-14(21)17-8-7-10-3-2-4-12(16)9-10/h2-4,9,11H,5-8H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-cyclopropyl-2-[2-(3-fluorophenyl)ethylcarbamoylamino]propanoic acid?
2-cyclopropyl-2-[2-(3-fluorophenyl)ethylcarbamoylamino]propanoic acid has a molecular weight of 294.33 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[2-(3-fluorophenyl)ethylcarbamoylamino]propanoic acid is sourced from PubChem (CID 61201728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).