2-cyclopropyl-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid

C16H18FNO3 — CID 43360385

IUPAC2-cyclopropyl-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
SMILESCC(NC(=O)C1(c2ccc(F)cc2)CC1)(C(=O)O)C1CC1
InChIInChI=1S/C16H18FNO3/c1-15(14(20)21,10-2-3-10)18-13(19)16(8-9-16)11-4-6-12(17)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H,18,19)(H,20,21)
InChIKeyGCZAKIZSUHFZJI-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.23
Rot. Bonds5

About 2-cyclopropyl-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid

2-cyclopropyl-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid (PubChem CID 43360385) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
PubChem CID43360385
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name2-cyclopropyl-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
SMILESCC(NC(=O)C1(c2ccc(F)cc2)CC1)(C(=O)O)C1CC1
InChIInChI=1S/C16H18FNO3/c1-15(14(20)21,10-2-3-10)18-13(19)16(8-9-16)11-4-6-12(17)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H,18,19)(H,20,21)
InChIKeyGCZAKIZSUHFZJI-UHFFFAOYSA-N
XLogP2.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide
CID 82726303
2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid
CID 43467516
2-cyclopropyl-2-[(5-fluoropyridine-2-carbonyl)amino]propanoic acid
CID 113435792
2-cyclopropyl-2-[(2,2-difluoroacetyl)amino]propanoic acid
CID 103513145
3-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 119250298
2-[(2-bromo-4-fluorobenzoyl)amino]-2-cyclopropylpropanoic acid
CID 43163063
3-tert-butyl-1-(4-fluorophenyl)cyclobutane-1-carboxylic acid
CID 65017269
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 103840217
2-[(2-bromo-5-fluorophenyl)methylcarbamoylamino]-2-cyclopropylpropanoic acid
CID 43101313
1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopropane-1-carboxamide
CID 103772448
1-(4-fluorophenyl)-N-(2-hydroxy-2,3-dimethylbutyl)cyclopropane-1-carboxamide
CID 111484002
N-(2-tert-butylphenyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 113198352

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid (CID 43360385) is 2-cyclopropyl-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid is CC(NC(=O)C1(c2ccc(F)cc2)CC1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid?
The InChIKey is GCZAKIZSUHFZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-15(14(20)21,10-2-3-10)18-13(19)16(8-9-16)11-4-6-12(17)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-cyclopropyl-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid?
2-cyclopropyl-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid has a molecular weight of 291.32 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid is sourced from PubChem (CID 43360385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).