cis-(1R,2S)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-nitrocyclopropane-1-carboxamide

C15H17N3O5 — CID 52537440

IUPACcis-(1R,2S)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-nitrocyclopropane-1-carboxamide
SMILESCOc1cc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])ccc1N1CCCC1=O
InChIInChI=1S/C15H17N3O5/c1-23-13-7-9(16-15(20)10-8-12(10)18(21)22)4-5-11(13)17-6-2-3-14(17)19/h4-5,7,10,12H,2-3,6,8H2,1H3,(H,16,20)/t10-,12+/m1/s1
InChIKeyLCWDAVJEVJXZMP-PWSUYJOCSA-N
MW319.32 g/mol
LogP1.43
Rot. Bonds5

About cis-(1R,2S)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-nitrocyclopropane-1-carboxamide

cis-(1R,2S)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-nitrocyclopropane-1-carboxamide (PubChem CID 52537440) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is cis-(1R,2S)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-nitrocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-nitrocyclopropane-1-carboxamide
PubChem CID52537440
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC Namecis-(1R,2S)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-nitrocyclopropane-1-carboxamide
SMILESCOc1cc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])ccc1N1CCCC1=O
InChIInChI=1S/C15H17N3O5/c1-23-13-7-9(16-15(20)10-8-12(10)18(21)22)4-5-11(13)17-6-2-3-14(17)19/h4-5,7,10,12H,2-3,6,8H2,1H3,(H,16,20)/t10-,12+/m1/s1
InChIKeyLCWDAVJEVJXZMP-PWSUYJOCSA-N
XLogP1.43
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.43
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'}

Analyze cis-(1R,2S)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-nitrocyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119180002
(1R,6S)-6-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 95570309
3-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 42950225
9-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120984649
(2R)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide
CID 119699368
3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid
CID 62232072
N-(3,4-dimethylphenyl)-N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679388
N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-methoxyphenyl)oxamide
CID 30679370
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 16603117
(2R)-2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 119276490
4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686632
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide
CID 7687475

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-nitrocyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-nitrocyclopropane-1-carboxamide (CID 52537440) is cis-(1R,2S)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-nitrocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-nitrocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-nitrocyclopropane-1-carboxamide is COc1cc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])ccc1N1CCCC1=O.
What is the InChIKey of cis-(1R,2S)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-nitrocyclopropane-1-carboxamide?
The InChIKey is LCWDAVJEVJXZMP-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H17N3O5/c1-23-13-7-9(16-15(20)10-8-12(10)18(21)22)4-5-11(13)17-6-2-3-14(17)19/h4-5,7,10,12H,2-3,6,8H2,1H3,(H,16,20)/t10-,12+/m1/s1.
What are the key properties of cis-(1R,2S)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-nitrocyclopropane-1-carboxamide?
cis-(1R,2S)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-nitrocyclopropane-1-carboxamide has a molecular weight of 319.32 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-nitrocyclopropane-1-carboxamide is sourced from PubChem (CID 52537440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).