(3R)-3-hydroxy-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide

C13H18N2O3 — CID 111431556

IUPAC(3R)-3-hydroxy-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide
SMILESCOc1cc(C)ccc1NC(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C13H18N2O3/c1-9-3-4-11(12(7-9)18-2)14-13(17)15-6-5-10(16)8-15/h3-4,7,10,16H,5-6,8H2,1-2H3,(H,14,17)/t10-/m1/s1
InChIKeySLZXAOFUMUHBTI-SNVBAGLBSA-N
MW250.30 g/mol
LogP1.60
Rot. Bonds2

About (3R)-3-hydroxy-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide

(3R)-3-hydroxy-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 111431556) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (3R)-3-hydroxy-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID111431556
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(3R)-3-hydroxy-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide
SMILESCOc1cc(C)ccc1NC(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C13H18N2O3/c1-9-3-4-11(12(7-9)18-2)14-13(17)15-6-5-10(16)8-15/h3-4,7,10,16H,5-6,8H2,1-2H3,(H,14,17)/t10-/m1/s1
InChIKeySLZXAOFUMUHBTI-SNVBAGLBSA-N
XLogP1.60
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430962
(3R)-3-hydroxy-N-(4-methoxy-3-methylphenyl)pyrrolidine-1-carboxamide
CID 111431474
(3S)-3-hydroxy-N-[2-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide
CID 111473314
(3R)-N-[2,4-bis(difluoromethoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 124615460
(3S)-N-(2-ethoxy-4-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431407
4-(3-chlorophenyl)-N-(2-methoxy-4-methylphenyl)piperazine-1-carboxamide
CID 60562585
(3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430925
N-(2-bromo-4,5-dimethoxyphenyl)-3-hydroxypiperidine-1-carboxamide
CID 60569756
3-methyl-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide
CID 86877135
N-(2,4-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 23987261
2-hydroxy-N-(2-methoxy-4-methylphenyl)cyclopentane-1-carboxamide
CID 110015372
N-(2-methoxy-4-methylphenyl)imidazole-1-carboxamide
CID 81257037

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-hydroxy-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide (CID 111431556) is (3R)-3-hydroxy-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-hydroxy-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-hydroxy-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide is COc1cc(C)ccc1NC(=O)N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-3-hydroxy-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is SLZXAOFUMUHBTI-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-3-4-11(12(7-9)18-2)14-13(17)15-6-5-10(16)8-15/h3-4,7,10,16H,5-6,8H2,1-2H3,(H,14,17)/t10-/m1/s1.
What are the key properties of (3R)-3-hydroxy-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide?
(3R)-3-hydroxy-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.60, 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-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111431556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).