(2S)-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide

C12H16N2O3 — CID 102695287

IUPAC(2S)-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN2)c(O)c1
InChIInChI=1S/C12H16N2O3/c1-17-8-4-5-9(11(15)7-8)14-12(16)10-3-2-6-13-10/h4-5,7,10,13,15H,2-3,6H2,1H3,(H,14,16)/t10-/m0/s1
InChIKeyUMDBLGFKWLDHDR-JTQLQIEISA-N
MW236.27 g/mol
LogP1.09
Rot. Bonds3

About (2S)-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide

(2S)-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 102695287) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (2S)-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
PubChem CID102695287
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(2S)-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN2)c(O)c1
InChIInChI=1S/C12H16N2O3/c1-17-8-4-5-9(11(15)7-8)14-12(16)10-3-2-6-13-10/h4-5,7,10,13,15H,2-3,6H2,1H3,(H,14,16)/t10-/m0/s1
InChIKeyUMDBLGFKWLDHDR-JTQLQIEISA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide
CID 92930229
N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281659
5-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid
CID 104914464
(2R)-N-(2-fluoro-5-methoxyphenyl)pyrrolidine-2-carboxamide
CID 113264214
4-methoxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoic acid
CID 103871126
N-(2-hydroxy-4-methoxyphenyl)cyclopentanecarboxamide
CID 146453828
4-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid
CID 104914466
4-hydroxy-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 102695323
2-(azepane-2-carbonylamino)-4-methoxybenzoic acid
CID 115411626
(2S)-N-(2-methoxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 61178330
methyl 5-chloro-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoate
CID 66680324
N-(4-methoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 56832268

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide (CID 102695287) is (2S)-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide is COc1ccc(NC(=O)[C@@H]2CCCN2)c(O)c1.
What is the InChIKey of (2S)-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is UMDBLGFKWLDHDR-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N2O3/c1-17-8-4-5-9(11(15)7-8)14-12(16)10-3-2-6-13-10/h4-5,7,10,13,15H,2-3,6H2,1H3,(H,14,16)/t10-/m0/s1.
What are the key properties of (2S)-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide?
(2S)-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 102695287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).