methyl 1-[[2-(3-fluorophenyl)cyclopropyl]carbamoyl]-3-methylpyrrolidine-3-carboxylate

C17H21FN2O3 — CID 84588477

IUPACmethyl 1-[[2-(3-fluorophenyl)cyclopropyl]carbamoyl]-3-methylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1(C)CCN(C(=O)NC2CC2c2cccc(F)c2)C1
InChIInChI=1S/C17H21FN2O3/c1-17(15(21)23-2)6-7-20(10-17)16(22)19-14-9-13(14)11-4-3-5-12(18)8-11/h3-5,8,13-14H,6-7,9-10H2,1-2H3,(H,19,22)
InChIKeyWNSMJAHZCGFVIQ-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.28
Rot. Bonds3

About methyl 1-[[2-(3-fluorophenyl)cyclopropyl]carbamoyl]-3-methylpyrrolidine-3-carboxylate

methyl 1-[[2-(3-fluorophenyl)cyclopropyl]carbamoyl]-3-methylpyrrolidine-3-carboxylate (PubChem CID 84588477) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is methyl 1-[[2-(3-fluorophenyl)cyclopropyl]carbamoyl]-3-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[2-(3-fluorophenyl)cyclopropyl]carbamoyl]-3-methylpyrrolidine-3-carboxylate
PubChem CID84588477
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Namemethyl 1-[[2-(3-fluorophenyl)cyclopropyl]carbamoyl]-3-methylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1(C)CCN(C(=O)NC2CC2c2cccc(F)c2)C1
InChIInChI=1S/C17H21FN2O3/c1-17(15(21)23-2)6-7-20(10-17)16(22)19-14-9-13(14)11-4-3-5-12(18)8-11/h3-5,8,13-14H,6-7,9-10H2,1-2H3,(H,19,22)
InChIKeyWNSMJAHZCGFVIQ-UHFFFAOYSA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122012282
1-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]piperidine-1,4-dicarboxamide
CID 95588991
1-[[2-(3-fluorophenyl)cyclopropyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123706
1-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 129380118
3-methyl-1-[[(1R,2S)-2-naphthalen-1-ylcyclopropyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122012776
N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97011138
(2S)-2-(4-chlorophenyl)-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]morpholine-4-carboxamide
CID 100850236
(2R)-2-amino-N-[2-(3-fluorophenyl)cyclopropyl]propanamide
CID 119305805
(3R)-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 129422396
N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-3-hydroxy-3-methylpyrrolidine-1-carboxamide
CID 136581608
6-fluoro-N-(2-phenylcyclopropyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
CID 75051608
(5R)-N-[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 99107522

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[2-(3-fluorophenyl)cyclopropyl]carbamoyl]-3-methylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-[[2-(3-fluorophenyl)cyclopropyl]carbamoyl]-3-methylpyrrolidine-3-carboxylate (CID 84588477) is methyl 1-[[2-(3-fluorophenyl)cyclopropyl]carbamoyl]-3-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-[[2-(3-fluorophenyl)cyclopropyl]carbamoyl]-3-methylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-[[2-(3-fluorophenyl)cyclopropyl]carbamoyl]-3-methylpyrrolidine-3-carboxylate is COC(=O)C1(C)CCN(C(=O)NC2CC2c2cccc(F)c2)C1.
What is the InChIKey of methyl 1-[[2-(3-fluorophenyl)cyclopropyl]carbamoyl]-3-methylpyrrolidine-3-carboxylate?
The InChIKey is WNSMJAHZCGFVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-17(15(21)23-2)6-7-20(10-17)16(22)19-14-9-13(14)11-4-3-5-12(18)8-11/h3-5,8,13-14H,6-7,9-10H2,1-2H3,(H,19,22).
What are the key properties of methyl 1-[[2-(3-fluorophenyl)cyclopropyl]carbamoyl]-3-methylpyrrolidine-3-carboxylate?
methyl 1-[[2-(3-fluorophenyl)cyclopropyl]carbamoyl]-3-methylpyrrolidine-3-carboxylate has a molecular weight of 320.36 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[2-(3-fluorophenyl)cyclopropyl]carbamoyl]-3-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 84588477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).