(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide

C12H16N2O3 — CID 63362733

IUPAC(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CC[C@@H](O)C2)c1
InChIInChI=1S/C12H16N2O3/c1-17-11-4-2-3-9(7-11)13-12(16)14-6-5-10(15)8-14/h2-4,7,10,15H,5-6,8H2,1H3,(H,13,16)/t10-/m1/s1
InChIKeyQRLZGBLTZRRDMT-SNVBAGLBSA-N
MW236.27 g/mol
LogP1.29
Rot. Bonds2

About (3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide

(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 63362733) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID63362733
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CC[C@@H](O)C2)c1
InChIInChI=1S/C12H16N2O3/c1-17-11-4-2-3-9(7-11)13-12(16)14-6-5-10(15)8-14/h2-4,7,10,15H,5-6,8H2,1H3,(H,13,16)/t10-/m1/s1
InChIKeyQRLZGBLTZRRDMT-SNVBAGLBSA-N
XLogP1.29
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-(3-methoxyphenyl)-4-methylpiperidine-1-carboxamide
CID 103896298
(3R,4S)-4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 97261232
4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 75449592
4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 61320986
N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
CID 3615404
N-(3-methoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90639316
N-(3-methoxyphenyl)-4-[(4-methylcyclohexyl)methyl]piperidine-1-carboxamide
CID 20930658
(3R)-3-hydroxy-N-(4-methoxy-3-methylphenyl)pyrrolidine-1-carboxamide
CID 111431474
3-hydroxy-N-(3-propoxyphenyl)piperidine-1-carboxamide
CID 47202480
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 90589407
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 3872908
(3S)-3-hydroxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]pyrrolidine-1-carboxamide
CID 124567707

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide (CID 63362733) is (3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide is COc1cccc(NC(=O)N2CC[C@@H](O)C2)c1.
What is the InChIKey of (3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is QRLZGBLTZRRDMT-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-17-11-4-2-3-9(7-11)13-12(16)14-6-5-10(15)8-14/h2-4,7,10,15H,5-6,8H2,1H3,(H,13,16)/t10-/m1/s1.
What are the key properties of (3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 63362733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).