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

C13H15FN2O3 — CID 47258210

IUPACmethyl 1-[(2-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)Nc2ccccc2F)C1
InChIInChI=1S/C13H15FN2O3/c1-19-12(17)9-6-7-16(8-9)13(18)15-11-5-3-2-4-10(11)14/h2-5,9H,6-8H2,1H3,(H,15,18)
InChIKeyJEORSBNQOSSBAE-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.85
Rot. Bonds2

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

methyl 1-[(2-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylate (PubChem CID 47258210) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is methyl 1-[(2-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylate
PubChem CID47258210
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Namemethyl 1-[(2-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)Nc2ccccc2F)C1
InChIInChI=1S/C13H15FN2O3/c1-19-12(17)9-6-7-16(8-9)13(18)15-11-5-3-2-4-10(11)14/h2-5,9H,6-8H2,1H3,(H,15,18)
InChIKeyJEORSBNQOSSBAE-UHFFFAOYSA-N
XLogP1.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 62917965
methyl 1-[(2,4-difluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 78915679
(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
4-amino-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 79868065
N-(2-fluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146127859
(3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79410579
N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 113241349
N-(2-fluorophenyl)-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide
CID 77041701
3-(cyclopropylmethoxy)-N-(2-fluorophenyl)pyrrolidine-1-carboxamide
CID 121197683
N-(2-fluorophenyl)-3-(3-methylpiperazine-1-carbonyl)piperidine-1-carboxamide;hydrochloride
CID 119577627
(2R,3R)-1-[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 122115369

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-[(2-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylate (CID 47258210) is methyl 1-[(2-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-[(2-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-[(2-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylate is COC(=O)C1CCN(C(=O)Nc2ccccc2F)C1.
What is the InChIKey of methyl 1-[(2-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylate?
The InChIKey is JEORSBNQOSSBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-19-12(17)9-6-7-16(8-9)13(18)15-11-5-3-2-4-10(11)14/h2-5,9H,6-8H2,1H3,(H,15,18).
What are the key properties of methyl 1-[(2-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylate?
methyl 1-[(2-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylate has a molecular weight of 266.27 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 47258210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).