(3R,4R)-4-cyclopropyl-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid

C21H27NO4 — CID 120978354

IUPAC(3R,4R)-4-cyclopropyl-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
SMILESCOc1cccc(C2(C(=O)N3C[C@H](C(=O)O)[C@@H](C4CC4)C3)CCCC2)c1
InChIInChI=1S/C21H27NO4/c1-26-16-6-4-5-15(11-16)21(9-2-3-10-21)20(25)22-12-17(14-7-8-14)18(13-22)19(23)24/h4-6,11,14,17-18H,2-3,7-10,12-13H2,1H3,(H,23,24)/t17-,18+/m1/s1
InChIKeyOUIIRQLSQVNZDC-MSOLQXFVSA-N
MW357.45 g/mol
LogP3.08
Rot. Bonds5

About (3R,4R)-4-cyclopropyl-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid

(3R,4R)-4-cyclopropyl-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 120978354) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is (3R,4R)-4-cyclopropyl-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-cyclopropyl-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
PubChem CID120978354
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name(3R,4R)-4-cyclopropyl-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
SMILESCOc1cccc(C2(C(=O)N3C[C@H](C(=O)O)[C@@H](C4CC4)C3)CCCC2)c1
InChIInChI=1S/C21H27NO4/c1-26-16-6-4-5-15(11-16)21(9-2-3-10-21)20(25)22-12-17(14-7-8-14)18(13-22)19(23)24/h4-6,11,14,17-18H,2-3,7-10,12-13H2,1H3,(H,23,24)/t17-,18+/m1/s1
InChIKeyOUIIRQLSQVNZDC-MSOLQXFVSA-N
XLogP3.08
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]piperidine-3-carboxylic acid
CID 119174323
(3R,4R)-4-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
CID 120979900
(3R,4R)-4-cyclopropyl-1-[1-(2,6-difluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 122108764
[1-(3-methoxyphenyl)cyclopentyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489769
(3R,4R)-4-cyclopropyl-1-[2-(3-methoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 120979232
(3R,4R)-1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120979880
[(2S)-2-(aminomethyl)-1,4-oxazepan-4-yl]-[1-(3-methoxyphenyl)cyclopentyl]methanone
CID 164637343
cis-(1S,3R)-3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676107
(3S,4S)-1-[1-(4-methoxyphenyl)cyclobutanecarbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122112624
[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[1-(3,4-dimethoxyphenyl)cyclopentyl]methanone
CID 133125413
(3aS,7aS)-2-[1-(3-methoxyphenyl)cyclopentanecarbonyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120627881
[1-(3-methoxyphenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 53016820

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-cyclopropyl-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-4-cyclopropyl-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid (CID 120978354) is (3R,4R)-4-cyclopropyl-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-cyclopropyl-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-4-cyclopropyl-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid is COc1cccc(C2(C(=O)N3C[C@H](C(=O)O)[C@@H](C4CC4)C3)CCCC2)c1.
What is the InChIKey of (3R,4R)-4-cyclopropyl-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is OUIIRQLSQVNZDC-MSOLQXFVSA-N. The full InChI is InChI=1S/C21H27NO4/c1-26-16-6-4-5-15(11-16)21(9-2-3-10-21)20(25)22-12-17(14-7-8-14)18(13-22)19(23)24/h4-6,11,14,17-18H,2-3,7-10,12-13H2,1H3,(H,23,24)/t17-,18+/m1/s1.
What are the key properties of (3R,4R)-4-cyclopropyl-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid?
(3R,4R)-4-cyclopropyl-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 357.45 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-cyclopropyl-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120978354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).