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

C12H17ClN2O3 — CID 119670498

IUPAC4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1cccc(NC(=O)C2CC(O)CN2)c1.Cl
InChIInChI=1S/C12H16N2O3.ClH/c1-17-10-4-2-3-8(5-10)14-12(16)11-6-9(15)7-13-11;/h2-5,9,11,13,15H,6-7H2,1H3,(H,14,16);1H
InChIKeyBCGYMWJELPJQEN-UHFFFAOYSA-N
MW272.73 g/mol
LogP0.78
Rot. Bonds3

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

4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119670498) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119670498
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1cccc(NC(=O)C2CC(O)CN2)c1.Cl
InChIInChI=1S/C12H16N2O3.ClH/c1-17-10-4-2-3-8(5-10)14-12(16)11-6-9(15)7-13-11;/h2-5,9,11,13,15H,6-7H2,1H3,(H,14,16);1H
InChIKeyBCGYMWJELPJQEN-UHFFFAOYSA-N
XLogP0.78
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 43120856
N-[3-(2-fluoroethoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119808988
N-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120817
4-hydroxy-N-(3-iodophenyl)pyrrolidine-2-carboxamide
CID 43124625
N-(3-methoxyphenyl)-4-methylpiperidine-2-carboxamide
CID 114422679
4-hydroxy-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119709484
N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119739957
4-hydroxy-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 102695323
4-hydroxy-N-(3-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670749
4-hydroxy-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119780127
N-[3-(difluoromethylsulfanyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119770525
4-hydroxy-N-(3-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119857481

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride (CID 119670498) is 4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride is COc1cccc(NC(=O)C2CC(O)CN2)c1.Cl.
What is the InChIKey of 4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is BCGYMWJELPJQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3.ClH/c1-17-10-4-2-3-8(5-10)14-12(16)11-6-9(15)7-13-11;/h2-5,9,11,13,15H,6-7H2,1H3,(H,14,16);1H.
What are the key properties of 4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride?
4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 272.73 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119670498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).