(2R,3R)-2-(4-chlorophenyl)-N-(3,3-dimethylcyclobutyl)-3-hydroxypyrrolidine-1-carboxamide

C17H23ClN2O2 — CID 136583872

IUPAC(2R,3R)-2-(4-chlorophenyl)-N-(3,3-dimethylcyclobutyl)-3-hydroxypyrrolidine-1-carboxamide
SMILESCC1(C)CC(NC(=O)N2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H23ClN2O2/c1-17(2)9-13(10-17)19-16(22)20-8-7-14(21)15(20)11-3-5-12(18)6-4-11/h3-6,13-15,21H,7-10H2,1-2H3,(H,19,22)/t14-,15-/m1/s1
InChIKeyHGKWGALDPZPGBB-HUUCEWRRSA-N
MW322.84 g/mol
LogP3.35
Rot. Bonds2

About (2R,3R)-2-(4-chlorophenyl)-N-(3,3-dimethylcyclobutyl)-3-hydroxypyrrolidine-1-carboxamide

(2R,3R)-2-(4-chlorophenyl)-N-(3,3-dimethylcyclobutyl)-3-hydroxypyrrolidine-1-carboxamide (PubChem CID 136583872) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is (2R,3R)-2-(4-chlorophenyl)-N-(3,3-dimethylcyclobutyl)-3-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(4-chlorophenyl)-N-(3,3-dimethylcyclobutyl)-3-hydroxypyrrolidine-1-carboxamide
PubChem CID136583872
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name(2R,3R)-2-(4-chlorophenyl)-N-(3,3-dimethylcyclobutyl)-3-hydroxypyrrolidine-1-carboxamide
SMILESCC1(C)CC(NC(=O)N2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H23ClN2O2/c1-17(2)9-13(10-17)19-16(22)20-8-7-14(21)15(20)11-3-5-12(18)6-4-11/h3-6,13-15,21H,7-10H2,1-2H3,(H,19,22)/t14-,15-/m1/s1
InChIKeyHGKWGALDPZPGBB-HUUCEWRRSA-N
XLogP3.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(2R,3R)-2-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl]-3-oxopropyl]prop-2-enamide
CID 166405811
[(2R,3R)-2-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl]-(3,5-dimethyl-1,2-thiazol-4-yl)methanone
CID 128895322
5-[(2R,3R)-2-(4-chlorophenyl)-3-hydroxypyrrolidine-1-carbonyl]-6,7-dihydro-5H-indolizin-8-one
CID 128895306
5-chloro-2-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103966065
1-[2-[(2R,3R)-2-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 154848741
4-chloro-N-(3,3-dimethylcyclopentyl)benzamide
CID 91506548
1-[2-(4-chlorophenyl)azetidin-1-yl]ethanone
CID 126758652
N-cyclopropyl-3-methyl-2-(4-methylphenyl)piperidine-1-carboxamide
CID 71874842
tert-butyl (2S,3S)-3-amino-2-(4-chlorophenyl)pyrrolidine-1-carboxylate
CID 124671019
3-(4-chlorophenyl)-N-cyclopentylazepane-1-carboxamide
CID 121146751
(3S)-N-(1-acetylpiperidin-4-yl)-3-(4-chlorophenyl)piperidine-1-carboxamide
CID 126433474
1-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)cyclopropane-1-carboxamide
CID 115881748

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(4-chlorophenyl)-N-(3,3-dimethylcyclobutyl)-3-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of (2R,3R)-2-(4-chlorophenyl)-N-(3,3-dimethylcyclobutyl)-3-hydroxypyrrolidine-1-carboxamide (CID 136583872) is (2R,3R)-2-(4-chlorophenyl)-N-(3,3-dimethylcyclobutyl)-3-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for (2R,3R)-2-(4-chlorophenyl)-N-(3,3-dimethylcyclobutyl)-3-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for (2R,3R)-2-(4-chlorophenyl)-N-(3,3-dimethylcyclobutyl)-3-hydroxypyrrolidine-1-carboxamide is CC1(C)CC(NC(=O)N2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)C1.
What is the InChIKey of (2R,3R)-2-(4-chlorophenyl)-N-(3,3-dimethylcyclobutyl)-3-hydroxypyrrolidine-1-carboxamide?
The InChIKey is HGKWGALDPZPGBB-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-17(2)9-13(10-17)19-16(22)20-8-7-14(21)15(20)11-3-5-12(18)6-4-11/h3-6,13-15,21H,7-10H2,1-2H3,(H,19,22)/t14-,15-/m1/s1.
What are the key properties of (2R,3R)-2-(4-chlorophenyl)-N-(3,3-dimethylcyclobutyl)-3-hydroxypyrrolidine-1-carboxamide?
(2R,3R)-2-(4-chlorophenyl)-N-(3,3-dimethylcyclobutyl)-3-hydroxypyrrolidine-1-carboxamide has a molecular weight of 322.84 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(4-chlorophenyl)-N-(3,3-dimethylcyclobutyl)-3-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 136583872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).