(3R)-1-[(2S)-1-methoxypropan-2-yl]-N-(2-methyl-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide

C16H21N3O5 — CID 41066157

IUPAC(3R)-1-[(2S)-1-methoxypropan-2-yl]-N-(2-methyl-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOC[C@H](C)N1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1=O
InChIInChI=1S/C16H21N3O5/c1-10-4-5-13(19(22)23)7-14(10)17-16(21)12-6-15(20)18(8-12)11(2)9-24-3/h4-5,7,11-12H,6,8-9H2,1-3H3,(H,17,21)/t11-,12+/m0/s1
InChIKeyWYKMZOWVIBAKOA-NWDGAFQWSA-N
MW335.36 g/mol
LogP1.73
Rot. Bonds6

About (3R)-1-[(2S)-1-methoxypropan-2-yl]-N-(2-methyl-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-[(2S)-1-methoxypropan-2-yl]-N-(2-methyl-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 41066157) has the molecular formula C16H21N3O5 and a molecular weight of 335.36 g/mol. Its IUPAC name is (3R)-1-[(2S)-1-methoxypropan-2-yl]-N-(2-methyl-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2S)-1-methoxypropan-2-yl]-N-(2-methyl-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID41066157
Molecular FormulaC16H21N3O5
Molecular Weight335.36 g/mol
Exact Mass335.15
IUPAC Name(3R)-1-[(2S)-1-methoxypropan-2-yl]-N-(2-methyl-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOC[C@H](C)N1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1=O
InChIInChI=1S/C16H21N3O5/c1-10-4-5-13(19(22)23)7-14(10)17-16(21)12-6-15(20)18(8-12)11(2)9-24-3/h4-5,7,11-12H,6,8-9H2,1-3H3,(H,17,21)/t11-,12+/m0/s1
InChIKeyWYKMZOWVIBAKOA-NWDGAFQWSA-N
XLogP1.73
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-[(2R)-1-methoxypropan-2-yl]-N-(2-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364965
(3S)-N-(2-chloro-4-nitrophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9364849
(3R)-1-[(2R)-1-methoxypropan-2-yl]-N-(2-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9365248
(3R)-N-(4-methoxy-2-nitrophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365035
(3S)-N-(2-chlorophenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365110
(3S)-N-(2-chlorophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365109
1-(2-methoxy-5-methylphenyl)-N-(2-methyl-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17191894
(3R)-N-(3,5-dimethylphenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 7449876
N-(2,4-difluorophenyl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17187461
(3S)-N-(2-bromophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365320
(3S)-N-(5-chloro-2-methoxyphenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365005
(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 9364904

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2S)-1-methoxypropan-2-yl]-N-(2-methyl-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2S)-1-methoxypropan-2-yl]-N-(2-methyl-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide (CID 41066157) is (3R)-1-[(2S)-1-methoxypropan-2-yl]-N-(2-methyl-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2S)-1-methoxypropan-2-yl]-N-(2-methyl-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2S)-1-methoxypropan-2-yl]-N-(2-methyl-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide is COC[C@H](C)N1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1=O.
What is the InChIKey of (3R)-1-[(2S)-1-methoxypropan-2-yl]-N-(2-methyl-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WYKMZOWVIBAKOA-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H21N3O5/c1-10-4-5-13(19(22)23)7-14(10)17-16(21)12-6-15(20)18(8-12)11(2)9-24-3/h4-5,7,11-12H,6,8-9H2,1-3H3,(H,17,21)/t11-,12+/m0/s1.
What are the key properties of (3R)-1-[(2S)-1-methoxypropan-2-yl]-N-(2-methyl-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-[(2S)-1-methoxypropan-2-yl]-N-(2-methyl-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2S)-1-methoxypropan-2-yl]-N-(2-methyl-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 41066157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).