(3R)-N-(4-methoxy-2-nitrophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide

C16H21N3O6 — CID 9365035

IUPAC(3R)-N-(4-methoxy-2-nitrophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOC[C@H](C)N1C[C@H](C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1=O
InChIInChI=1S/C16H21N3O6/c1-10(9-24-2)18-8-11(6-15(18)20)16(21)17-13-5-4-12(25-3)7-14(13)19(22)23/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,17,21)/t10-,11+/m0/s1
InChIKeyMEZZBGPJFGDEGZ-WDEREUQCSA-N
MW351.36 g/mol
LogP1.43
Rot. Bonds7

About (3R)-N-(4-methoxy-2-nitrophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide

(3R)-N-(4-methoxy-2-nitrophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 9365035) has the molecular formula C16H21N3O6 and a molecular weight of 351.36 g/mol. Its IUPAC name is (3R)-N-(4-methoxy-2-nitrophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-methoxy-2-nitrophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID9365035
Molecular FormulaC16H21N3O6
Molecular Weight351.36 g/mol
Exact Mass351.14
IUPAC Name(3R)-N-(4-methoxy-2-nitrophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOC[C@H](C)N1C[C@H](C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1=O
InChIInChI=1S/C16H21N3O6/c1-10(9-24-2)18-8-11(6-15(18)20)16(21)17-13-5-4-12(25-3)7-14(13)19(22)23/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,17,21)/t10-,11+/m0/s1
InChIKeyMEZZBGPJFGDEGZ-WDEREUQCSA-N
XLogP1.43
TPSA111.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)-1-[(2S)-1-methoxypropan-2-yl]-N-(2-methyl-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 41066157
(3R)-1-(2,4-dimethoxyphenyl)-N-(4-methoxy-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351512
(3S)-N-(3-methoxyphenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365141
N-(4-methoxy-2-nitrophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18885973
1-butyl-N-(4-methoxy-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082537
1-(2-ethylphenyl)-N-(4-methoxy-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120329
N-(2,4-difluorophenyl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17187461
(3S)-N-(5-chloro-2-methoxyphenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365005
(3S)-N-(2-chlorophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365109

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-methoxy-2-nitrophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-methoxy-2-nitrophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 9365035) is (3R)-N-(4-methoxy-2-nitrophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-methoxy-2-nitrophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-methoxy-2-nitrophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide is COC[C@H](C)N1C[C@H](C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1=O.
What is the InChIKey of (3R)-N-(4-methoxy-2-nitrophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MEZZBGPJFGDEGZ-WDEREUQCSA-N. The full InChI is InChI=1S/C16H21N3O6/c1-10(9-24-2)18-8-11(6-15(18)20)16(21)17-13-5-4-12(25-3)7-14(13)19(22)23/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,17,21)/t10-,11+/m0/s1.
What are the key properties of (3R)-N-(4-methoxy-2-nitrophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(4-methoxy-2-nitrophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 351.36 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-methoxy-2-nitrophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9365035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).