(3R,4R)-4-cyclopropyl-1-[1-(2-methoxyethyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid

C17H27NO4 — CID 120978313

IUPAC(3R,4R)-4-cyclopropyl-1-[1-(2-methoxyethyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
SMILESCOCCC1(C(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)CCCC1
InChIInChI=1S/C17H27NO4/c1-22-9-8-17(6-2-3-7-17)16(21)18-10-13(12-4-5-12)14(11-18)15(19)20/h12-14H,2-11H2,1H3,(H,19,20)/t13-,14+/m1/s1
InChIKeyPFGVIDPAPBJRBI-KGLIPLIRSA-N
MW309.41 g/mol
LogP2.15
Rot. Bonds6

About (3R,4R)-4-cyclopropyl-1-[1-(2-methoxyethyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid

(3R,4R)-4-cyclopropyl-1-[1-(2-methoxyethyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 120978313) has the molecular formula C17H27NO4 and a molecular weight of 309.41 g/mol. Its IUPAC name is (3R,4R)-4-cyclopropyl-1-[1-(2-methoxyethyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-cyclopropyl-1-[1-(2-methoxyethyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
PubChem CID120978313
Molecular FormulaC17H27NO4
Molecular Weight309.41 g/mol
Exact Mass309.19
IUPAC Name(3R,4R)-4-cyclopropyl-1-[1-(2-methoxyethyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
SMILESCOCCC1(C(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)CCCC1
InChIInChI=1S/C17H27NO4/c1-22-9-8-17(6-2-3-7-17)16(21)18-10-13(12-4-5-12)14(11-18)15(19)20/h12-14H,2-11H2,1H3,(H,19,20)/t13-,14+/m1/s1
InChIKeyPFGVIDPAPBJRBI-KGLIPLIRSA-N
XLogP2.15
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-4-cyclopropyl-1-[1-(2-methylpropyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 120978017
[(3aS,9aR,9bS)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl]-[1-(2-methoxyethyl)cyclopentyl]methanone
CID 97226421
1-[1-(2-methoxyethyl)cyclopentanecarbonyl]piperidine-3-carboxylic acid
CID 102553827
(3R)-1-[1-(2-methoxyethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 124685754
(2S)-4-[1-(2-methoxyethyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid
CID 125149728
[1-(2-methoxyethyl)cyclopentyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563582
[(3R)-3-aminopyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
CID 119412473
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methoxyethyl)cyclopentyl]methanone
CID 119638958
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
CID 97246480
(4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)cyclobutyl]methanone;hydrochloride
CID 119375948
[1-(2-methoxyethyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546537
(3R,4R)-4-cyclopropyl-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
CID 120978354

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-cyclopropyl-1-[1-(2-methoxyethyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-4-cyclopropyl-1-[1-(2-methoxyethyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid (CID 120978313) is (3R,4R)-4-cyclopropyl-1-[1-(2-methoxyethyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-cyclopropyl-1-[1-(2-methoxyethyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-4-cyclopropyl-1-[1-(2-methoxyethyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid is COCCC1(C(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)CCCC1.
What is the InChIKey of (3R,4R)-4-cyclopropyl-1-[1-(2-methoxyethyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is PFGVIDPAPBJRBI-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H27NO4/c1-22-9-8-17(6-2-3-7-17)16(21)18-10-13(12-4-5-12)14(11-18)15(19)20/h12-14H,2-11H2,1H3,(H,19,20)/t13-,14+/m1/s1.
What are the key properties of (3R,4R)-4-cyclopropyl-1-[1-(2-methoxyethyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid?
(3R,4R)-4-cyclopropyl-1-[1-(2-methoxyethyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 309.41 g/mol, XLogP of 2.15, 6 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-(2-methoxyethyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120978313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).