4-hydroxy-N-(3-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride

C11H14ClN3O4 — CID 119670749

IUPAC4-hydroxy-N-(3-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc([N+](=O)[O-])c1)C1CC(O)CN1
InChIInChI=1S/C11H13N3O4.ClH/c15-9-5-10(12-6-9)11(16)13-7-2-1-3-8(4-7)14(17)18;/h1-4,9-10,12,15H,5-6H2,(H,13,16);1H
InChIKeyGWRUFMSIZHTNNK-UHFFFAOYSA-N
MW287.70 g/mol
LogP0.68
Rot. Bonds3

About 4-hydroxy-N-(3-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride

4-hydroxy-N-(3-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119670749) has the molecular formula C11H14ClN3O4 and a molecular weight of 287.70 g/mol. Its IUPAC name is 4-hydroxy-N-(3-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-N-(3-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119670749
Molecular FormulaC11H14ClN3O4
Molecular Weight287.70 g/mol
Exact Mass287.07
IUPAC Name4-hydroxy-N-(3-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc([N+](=O)[O-])c1)C1CC(O)CN1
InChIInChI=1S/C11H13N3O4.ClH/c15-9-5-10(12-6-9)11(16)13-7-2-1-3-8(4-7)14(17)18;/h1-4,9-10,12,15H,5-6H2,(H,13,16);1H
InChIKeyGWRUFMSIZHTNNK-UHFFFAOYSA-N
XLogP0.68
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 50.68
H-Bond Donors ≤ 53
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 4-hydroxy-N-(3-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride 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

(2R,4R)-4-hydroxy-N-(4-nitrophenyl)pyrrolidine-2-carboxamide
CID 93044428
N-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120817
4-hydroxy-N-(3-iodophenyl)pyrrolidine-2-carboxamide
CID 43124625
N-(4-fluoro-3-nitrophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43708447
4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670498
4-hydroxy-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide
CID 119755120
N-[3-(difluoromethylsulfanyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119770525
N-[3-(azepan-1-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119892146
4-hydroxy-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 43120856
N-[3-(2-fluoroethoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119808988
4-hydroxy-N-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119852977
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-4-hydroxypyrrolidine-2-carboxamide;trihydrochloride
CID 119902667

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 4-hydroxy-N-(3-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride (CID 119670749) is 4-hydroxy-N-(3-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-hydroxy-N-(3-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 4-hydroxy-N-(3-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1cccc([N+](=O)[O-])c1)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-(3-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is GWRUFMSIZHTNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4.ClH/c15-9-5-10(12-6-9)11(16)13-7-2-1-3-8(4-7)14(17)18;/h1-4,9-10,12,15H,5-6H2,(H,13,16);1H.
What are the key properties of 4-hydroxy-N-(3-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride?
4-hydroxy-N-(3-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 287.70 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119670749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).