methyl (3S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylate

C19H26N2O5 — CID 58598219

IUPACmethyl (3S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CN(C(N)=O)CC1c1ccc(OC)c(OC2CCCC2)c1
InChIInChI=1S/C19H26N2O5/c1-24-16-8-7-12(9-17(16)26-13-5-3-4-6-13)14-10-21(19(20)23)11-15(14)18(22)25-2/h7-9,13-15H,3-6,10-11H2,1-2H3,(H2,20,23)/t14?,15-/m1/s1
InChIKeyIIBXETZKBWPFME-YSSOQSIOSA-N
MW362.43 g/mol
LogP2.28
Rot. Bonds5

About methyl (3S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylate

methyl (3S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylate (PubChem CID 58598219) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is methyl (3S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylate
PubChem CID58598219
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Namemethyl (3S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CN(C(N)=O)CC1c1ccc(OC)c(OC2CCCC2)c1
InChIInChI=1S/C19H26N2O5/c1-24-16-8-7-12(9-17(16)26-13-5-3-4-6-13)14-10-21(19(20)23)11-15(14)18(22)25-2/h7-9,13-15H,3-6,10-11H2,1-2H3,(H2,20,23)/t14?,15-/m1/s1
InChIKeyIIBXETZKBWPFME-YSSOQSIOSA-N
XLogP2.28
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 54097599
methyl (3R,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate
CID 54485183
(3S,4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 67015224
4-(3-cyclopentyloxy-4-methoxyphenyl)-1-propan-2-yloxycarbonylpyrrolidine-3-carboxylic acid
CID 22915275
tert-butyl (3S,4R)-1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylate
CID 70096559
(3R,4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-N-phenylpyrrolidine-3-carboxamide
CID 122386187
1-[(3S,4R)-1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-3-yl]ethanone
CID 70093783
ethylbenzene;methyl (3R,4R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidine-1-carboxylate
CID 142074393
2-(3-cyclopentyloxy-4-methoxyphenyl)cyclopropan-1-amine
CID 70068192
1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 10266977
benzyl N-[2-[(3R,4R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate;ethane
CID 142074559
dimethyl (3S,4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1,3-dicarboxylate
CID 10596608

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylate (CID 58598219) is methyl (3S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylate is COC(=O)[C@@H]1CN(C(N)=O)CC1c1ccc(OC)c(OC2CCCC2)c1.
What is the InChIKey of methyl (3S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylate?
The InChIKey is IIBXETZKBWPFME-YSSOQSIOSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-24-16-8-7-12(9-17(16)26-13-5-3-4-6-13)14-10-21(19(20)23)11-15(14)18(22)25-2/h7-9,13-15H,3-6,10-11H2,1-2H3,(H2,20,23)/t14?,15-/m1/s1.
What are the key properties of methyl (3S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylate?
methyl (3S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 58598219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).