(3R,4S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylic acid

C18H24N2O5 — CID 54097599

IUPAC(3R,4S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylic acid
SMILESCOc1ccc([C@H]2CN(C(N)=O)C[C@@H]2C(=O)O)cc1OC1CCCC1
InChIInChI=1S/C18H24N2O5/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)13-9-20(18(19)23)10-14(13)17(21)22/h6-8,12-14H,2-5,9-10H2,1H3,(H2,19,23)(H,21,22)/t13-,14+/m1/s1
InChIKeyMYFOUWTVGYONNR-KGLIPLIRSA-N
MW348.40 g/mol
LogP2.20
Rot. Bonds5

About (3R,4S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylic acid

(3R,4S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 54097599) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is (3R,4S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylic acid
PubChem CID54097599
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name(3R,4S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylic acid
SMILESCOc1ccc([C@H]2CN(C(N)=O)C[C@@H]2C(=O)O)cc1OC1CCCC1
InChIInChI=1S/C18H24N2O5/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)13-9-20(18(19)23)10-14(13)17(21)22/h6-8,12-14H,2-5,9-10H2,1H3,(H2,19,23)(H,21,22)/t13-,14+/m1/s1
InChIKeyMYFOUWTVGYONNR-KGLIPLIRSA-N
XLogP2.20
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylate
CID 58598219
4-(3-cyclopentyloxy-4-methoxyphenyl)-1-propan-2-yloxycarbonylpyrrolidine-3-carboxylic acid
CID 22915275
(3S,4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 67015224
methyl (3R,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate
CID 54485183
(3S,4R)-4-(3,4-dimethoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 124858013
(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 2-[(3R,4R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidin-1-yl]acetate
CID 142074544
(3S,4S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidine
CID 150912606

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylic acid (CID 54097599) is (3R,4S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylic acid is COc1ccc([C@H]2CN(C(N)=O)C[C@@H]2C(=O)O)cc1OC1CCCC1.
What is the InChIKey of (3R,4S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is MYFOUWTVGYONNR-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)13-9-20(18(19)23)10-14(13)17(21)22/h6-8,12-14H,2-5,9-10H2,1H3,(H2,19,23)(H,21,22)/t13-,14+/m1/s1.
What are the key properties of (3R,4S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylic acid?
(3R,4S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 348.40 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 54097599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).