(2R)-1-(cyclopropanecarbonyl)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide

C20H26N2O3 — CID 97211501

IUPAC(2R)-1-(cyclopropanecarbonyl)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1C1(CNC(=O)[C@H]2CCCN2C(=O)C2CC2)CC1
InChIInChI=1S/C20H26N2O3/c1-25-17-7-3-2-5-15(17)20(10-11-20)13-21-18(23)16-6-4-12-22(16)19(24)14-8-9-14/h2-3,5,7,14,16H,4,6,8-13H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyXVAHFHFGFWICHX-MRXNPFEDSA-N
MW342.44 g/mol
LogP2.24
Rot. Bonds6

About (2R)-1-(cyclopropanecarbonyl)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide

(2R)-1-(cyclopropanecarbonyl)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 97211501) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2R)-1-(cyclopropanecarbonyl)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(cyclopropanecarbonyl)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide
PubChem CID97211501
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name(2R)-1-(cyclopropanecarbonyl)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1C1(CNC(=O)[C@H]2CCCN2C(=O)C2CC2)CC1
InChIInChI=1S/C20H26N2O3/c1-25-17-7-3-2-5-15(17)20(10-11-20)13-21-18(23)16-6-4-12-22(16)19(24)14-8-9-14/h2-3,5,7,14,16H,4,6,8-13H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyXVAHFHFGFWICHX-MRXNPFEDSA-N
XLogP2.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropanecarbonyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide
CID 71918441
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide
CID 60612311
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide
CID 27449334
1-cyclobutyl-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methylurea
CID 84585180
(2R)-1-(cyclohexanecarbonyl)-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide
CID 95761647
3-hydroxy-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]piperidine-1-carboxamide
CID 110903329
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]propanamide
CID 110441312
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 71877790
methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate
CID 110477745
1-(cyclopropanecarbonyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide
CID 115455332
(2S)-1-(cyclopropanecarbonyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidine-2-carboxamide
CID 125436839
methyl 1-[N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111253426

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(cyclopropanecarbonyl)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(cyclopropanecarbonyl)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide (CID 97211501) is (2R)-1-(cyclopropanecarbonyl)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(cyclopropanecarbonyl)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(cyclopropanecarbonyl)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide is COc1ccccc1C1(CNC(=O)[C@H]2CCCN2C(=O)C2CC2)CC1.
What is the InChIKey of (2R)-1-(cyclopropanecarbonyl)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is XVAHFHFGFWICHX-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-25-17-7-3-2-5-15(17)20(10-11-20)13-21-18(23)16-6-4-12-22(16)19(24)14-8-9-14/h2-3,5,7,14,16H,4,6,8-13H2,1H3,(H,21,23)/t16-/m1/s1.
What are the key properties of (2R)-1-(cyclopropanecarbonyl)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide?
(2R)-1-(cyclopropanecarbonyl)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(cyclopropanecarbonyl)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 97211501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).