(2R,3R)-2-(2-chlorophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

C19H27ClN2O4 — CID 110087342

IUPAC(2R,3R)-2-(2-chlorophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1C(=O)C[C@@H](C(=O)NCC(C)(C)CO)[C@@H]1c1ccccc1Cl
InChIInChI=1S/C19H27ClN2O4/c1-19(2,12-23)11-21-18(25)14-10-16(24)22(8-9-26-3)17(14)13-6-4-5-7-15(13)20/h4-7,14,17,23H,8-12H2,1-3H3,(H,21,25)/t14-,17+/m1/s1
InChIKeyMDQSTMQDTBLWRO-PBHICJAKSA-N
MW382.89 g/mol
LogP2.01
Rot. Bonds8

About (2R,3R)-2-(2-chlorophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

(2R,3R)-2-(2-chlorophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 110087342) has the molecular formula C19H27ClN2O4 and a molecular weight of 382.89 g/mol. Its IUPAC name is (2R,3R)-2-(2-chlorophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(2-chlorophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID110087342
Molecular FormulaC19H27ClN2O4
Molecular Weight382.89 g/mol
Exact Mass382.17
IUPAC Name(2R,3R)-2-(2-chlorophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1C(=O)C[C@@H](C(=O)NCC(C)(C)CO)[C@@H]1c1ccccc1Cl
InChIInChI=1S/C19H27ClN2O4/c1-19(2,12-23)11-21-18(25)14-10-16(24)22(8-9-26-3)17(14)13-6-4-5-7-15(13)20/h4-7,14,17,23H,8-12H2,1-3H3,(H,21,25)/t14-,17+/m1/s1
InChIKeyMDQSTMQDTBLWRO-PBHICJAKSA-N
XLogP2.01
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-2-(2-chlorophenyl)-1-(2-methoxyethyl)-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 110087321
(2R,3R)-2-(2-chlorophenyl)-1-(2-methoxyethyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide;formic acid
CID 171688373
(2R,3R)-N-(3-hydroxypropyl)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 110087628
(2S,3R)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 51982857
(2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 110087483
2-(2-cyanophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 107936802
2-[2-(3-chlorophenyl)ethyl-[(2R,3R)-2-(2-chlorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 110076774
(2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylate
CID 7144611
2-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 114866524
(2S,3S)-1-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-oxo-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 138012998
(2R,3R)-N,1-bis(2-methoxyethyl)-N-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 110087249
(2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 155900898

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2-chlorophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (2R,3R)-2-(2-chlorophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (CID 110087342) is (2R,3R)-2-(2-chlorophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(2-chlorophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(2-chlorophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is COCCN1C(=O)C[C@@H](C(=O)NCC(C)(C)CO)[C@@H]1c1ccccc1Cl.
What is the InChIKey of (2R,3R)-2-(2-chlorophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MDQSTMQDTBLWRO-PBHICJAKSA-N. The full InChI is InChI=1S/C19H27ClN2O4/c1-19(2,12-23)11-21-18(25)14-10-16(24)22(8-9-26-3)17(14)13-6-4-5-7-15(13)20/h4-7,14,17,23H,8-12H2,1-3H3,(H,21,25)/t14-,17+/m1/s1.
What are the key properties of (2R,3R)-2-(2-chlorophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
(2R,3R)-2-(2-chlorophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 382.89 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2-chlorophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 110087342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).