(2S)-N-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride

C12H16ClN3O3 — CID 119420078

IUPAC(2S)-N-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)[C@@H]2CCC(=O)N2)cc1N.Cl
InChIInChI=1S/C12H15N3O3.ClH/c1-18-10-4-2-7(6-8(10)13)14-12(17)9-3-5-11(16)15-9;/h2,4,6,9H,3,5,13H2,1H3,(H,14,17)(H,15,16);1H/t9-;/m0./s1
InChIKeyOEGITOFEQKCPFZ-FVGYRXGTSA-N
MW285.73 g/mol
LogP0.92
Rot. Bonds3

About (2S)-N-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride

(2S)-N-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119420078) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is (2S)-N-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
PubChem CID119420078
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name(2S)-N-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)[C@@H]2CCC(=O)N2)cc1N.Cl
InChIInChI=1S/C12H15N3O3.ClH/c1-18-10-4-2-7(6-8(10)13)14-12(17)9-3-5-11(16)15-9;/h2,4,6,9H,3,5,13H2,1H3,(H,14,17)(H,15,16);1H/t9-;/m0./s1
InChIKeyOEGITOFEQKCPFZ-FVGYRXGTSA-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

N-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110792509
N-(3-amino-4-methoxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 43599815
5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide
CID 110689736
N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
CID 65023208
N-(3-aminophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110482254
N-(2-amino-5-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119420928
N-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 42889996
(2S)-N-[3-[(2-methoxybenzoyl)amino]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 46997763
(2R)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 95271416
N-(3,4-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110689759
N-(3-amino-4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 119419829
N-(3-amino-4-methoxyphenyl)oxane-2-carboxamide
CID 62215161

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride (CID 119420078) is (2S)-N-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride is COc1ccc(NC(=O)[C@@H]2CCC(=O)N2)cc1N.Cl.
What is the InChIKey of (2S)-N-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is OEGITOFEQKCPFZ-FVGYRXGTSA-N. The full InChI is InChI=1S/C12H15N3O3.ClH/c1-18-10-4-2-7(6-8(10)13)14-12(17)9-3-5-11(16)15-9;/h2,4,6,9H,3,5,13H2,1H3,(H,14,17)(H,15,16);1H/t9-;/m0./s1.
What are the key properties of (2S)-N-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-(3-amino-4-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 (2S)-N-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119420078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).