2-cyclopropyl-2-[[ethyl-(3-fluorophenyl)carbamoyl]amino]acetic acid

C14H17FN2O3 — CID 62709879

IUPAC2-cyclopropyl-2-[[ethyl-(3-fluorophenyl)carbamoyl]amino]acetic acid
SMILESCCN(C(=O)NC(C(=O)O)C1CC1)c1cccc(F)c1
InChIInChI=1S/C14H17FN2O3/c1-2-17(11-5-3-4-10(15)8-11)14(20)16-12(13(18)19)9-6-7-9/h3-5,8-9,12H,2,6-7H2,1H3,(H,16,20)(H,18,19)
InChIKeyJOBRHVQCZUFJGT-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.22
Rot. Bonds5

About 2-cyclopropyl-2-[[ethyl-(3-fluorophenyl)carbamoyl]amino]acetic acid

2-cyclopropyl-2-[[ethyl-(3-fluorophenyl)carbamoyl]amino]acetic acid (PubChem CID 62709879) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[ethyl-(3-fluorophenyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[ethyl-(3-fluorophenyl)carbamoyl]amino]acetic acid
PubChem CID62709879
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name2-cyclopropyl-2-[[ethyl-(3-fluorophenyl)carbamoyl]amino]acetic acid
SMILESCCN(C(=O)NC(C(=O)O)C1CC1)c1cccc(F)c1
InChIInChI=1S/C14H17FN2O3/c1-2-17(11-5-3-4-10(15)8-11)14(20)16-12(13(18)19)9-6-7-9/h3-5,8-9,12H,2,6-7H2,1H3,(H,16,20)(H,18,19)
InChIKeyJOBRHVQCZUFJGT-UHFFFAOYSA-N
XLogP2.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[ethyl-(3-fluorophenyl)carbamoyl]amino]hexanoic acid
CID 107145902
N-ethyl-N-(3-fluorophenyl)pyrrolidine-3-carboxamide
CID 55149318
2-cyclopropyl-2-[[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 62694873
(2S)-2-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 107737365
(3R)-N-ethyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 81140928
N-ethyl-N-(3-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 116655222
4-amino-N-ethyl-N-(3-fluorophenyl)cyclopent-2-ene-1-carboxamide
CID 79207504
N-ethyl-N-(3-fluorophenyl)-3-sulfanylpropanamide
CID 107027159
2-[[ethyl-(3-methylphenyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61208845
2-[[ethyl(phenyl)carbamoyl]amino]butanoic acid
CID 61191471
2-amino-N-ethyl-N-(3-fluorophenyl)-3-methylpentanamide
CID 76924070
1-ethyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-phenylurea
CID 108906183

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[ethyl-(3-fluorophenyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[ethyl-(3-fluorophenyl)carbamoyl]amino]acetic acid (CID 62709879) is 2-cyclopropyl-2-[[ethyl-(3-fluorophenyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[ethyl-(3-fluorophenyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[ethyl-(3-fluorophenyl)carbamoyl]amino]acetic acid is CCN(C(=O)NC(C(=O)O)C1CC1)c1cccc(F)c1.
What is the InChIKey of 2-cyclopropyl-2-[[ethyl-(3-fluorophenyl)carbamoyl]amino]acetic acid?
The InChIKey is JOBRHVQCZUFJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-2-17(11-5-3-4-10(15)8-11)14(20)16-12(13(18)19)9-6-7-9/h3-5,8-9,12H,2,6-7H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-cyclopropyl-2-[[ethyl-(3-fluorophenyl)carbamoyl]amino]acetic acid?
2-cyclopropyl-2-[[ethyl-(3-fluorophenyl)carbamoyl]amino]acetic acid has a molecular weight of 280.30 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[ethyl-(3-fluorophenyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 62709879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).