3-hydroxy-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide

C12H16N2O3 — CID 84727286

IUPAC3-hydroxy-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2(O)CCNC2)cc1
InChIInChI=1S/C12H16N2O3/c1-17-10-4-2-9(3-5-10)14-11(15)12(16)6-7-13-8-12/h2-5,13,16H,6-8H2,1H3,(H,14,15)
InChIKeyMTXUHAOLJRHYEJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.36
Rot. Bonds3

About 3-hydroxy-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide

3-hydroxy-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 84727286) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-hydroxy-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID84727286
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-hydroxy-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2(O)CCNC2)cc1
InChIInChI=1S/C12H16N2O3/c1-17-10-4-2-9(3-5-10)14-11(15)12(16)6-7-13-8-12/h2-5,13,16H,6-8H2,1H3,(H,14,15)
InChIKeyMTXUHAOLJRHYEJ-UHFFFAOYSA-N
XLogP0.36
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63140483
4-methoxy-N-(4-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119671002
N-(4-methoxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943571
4-methoxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide
CID 119773920
N-(4-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 169490460
N-(4-ethoxyphenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140867
N-(4-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;hydrochloride
CID 169490459
3-[(4-methoxyanilino)methyl]pyrrolidin-3-ol
CID 105479226
N-(4-methoxyphenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 3235204
1-ethoxy-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100729423
1-formamido-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 15065034
methyl 2-[4-[(3-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetate
CID 63139631

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-hydroxy-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide (CID 84727286) is 3-hydroxy-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-hydroxy-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide is COc1ccc(NC(=O)C2(O)CCNC2)cc1.
What is the InChIKey of 3-hydroxy-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is MTXUHAOLJRHYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-17-10-4-2-9(3-5-10)14-11(15)12(16)6-7-13-8-12/h2-5,13,16H,6-8H2,1H3,(H,14,15).
What are the key properties of 3-hydroxy-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide?
3-hydroxy-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 84727286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).