N-(2-amino-5-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride

C12H16ClN3O3 — CID 119420928

IUPACN-(2-amino-5-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1ccc(N)c(NC(=O)C2CCC(=O)N2)c1.Cl
InChIInChI=1S/C12H15N3O3.ClH/c1-18-7-2-3-8(13)10(6-7)15-12(17)9-4-5-11(16)14-9;/h2-3,6,9H,4-5,13H2,1H3,(H,14,16)(H,15,17);1H
InChIKeySJUMBQNBEQBAKO-UHFFFAOYSA-N
MW285.73 g/mol
LogP0.92
Rot. Bonds3

About N-(2-amino-5-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride

N-(2-amino-5-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119420928) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
PubChem CID119420928
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC NameN-(2-amino-5-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1ccc(N)c(NC(=O)C2CCC(=O)N2)c1.Cl
InChIInChI=1S/C12H15N3O3.ClH/c1-18-7-2-3-8(13)10(6-7)15-12(17)9-4-5-11(16)14-9;/h2-3,6,9H,4-5,13H2,1H3,(H,14,16)(H,15,17);1H
InChIKeySJUMBQNBEQBAKO-UHFFFAOYSA-N
XLogP0.92
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(2-amino-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 95039569
N-(2-amino-5-methoxyphenyl)cyclobutanecarboxamide;hydrochloride
CID 119421373
N-(2-amino-5-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide;hydrochloride
CID 119421357
(2S)-N-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119420078
N-(2-amino-5-methoxyphenyl)-5-methyloxolane-2-carboxamide
CID 81330891
N-(2-amino-5-methoxyphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride
CID 119421456
N-(2-amino-5-methoxyphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 119420735
N-[5-(3,4-difluorophenoxy)-2-methoxyphenyl]-5-oxopyrrolidine-2-carboxamide
CID 166073714
(3R)-N-(2,5-dimethoxyphenyl)-5-oxo-1,4-thiazepane-3-carboxamide
CID 100825016
N-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110792994
(2R)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 95271416
N-(2-amino-5-methoxyphenyl)-2-ethoxycyclopropane-1-carboxamide;hydrochloride
CID 119421788

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride (CID 119420928) is N-(2-amino-5-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride is COc1ccc(N)c(NC(=O)C2CCC(=O)N2)c1.Cl.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is SJUMBQNBEQBAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3.ClH/c1-18-7-2-3-8(13)10(6-7)15-12(17)9-4-5-11(16)14-9;/h2-3,6,9H,4-5,13H2,1H3,(H,14,16)(H,15,17);1H.
What are the key properties of N-(2-amino-5-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride?
N-(2-amino-5-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 285.73 g/mol, XLogP of 0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119420928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).