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

C13H18N2O3 — CID 111431474

IUPAC(3R)-3-hydroxy-N-(4-methoxy-3-methylphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CC[C@@H](O)C2)cc1C
InChIInChI=1S/C13H18N2O3/c1-9-7-10(3-4-12(9)18-2)14-13(17)15-6-5-11(16)8-15/h3-4,7,11,16H,5-6,8H2,1-2H3,(H,14,17)/t11-/m1/s1
InChIKeyHTRVUPFBYOHIMZ-LLVKDONJSA-N
MW250.30 g/mol
LogP1.60
Rot. Bonds2

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

(3R)-3-hydroxy-N-(4-methoxy-3-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 111431474) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (3R)-3-hydroxy-N-(4-methoxy-3-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-N-(4-methoxy-3-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID111431474
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(3R)-3-hydroxy-N-(4-methoxy-3-methylphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CC[C@@H](O)C2)cc1C
InChIInChI=1S/C13H18N2O3/c1-9-7-10(3-4-12(9)18-2)14-13(17)15-6-5-11(16)8-15/h3-4,7,11,16H,5-6,8H2,1-2H3,(H,14,17)/t11-/m1/s1
InChIKeyHTRVUPFBYOHIMZ-LLVKDONJSA-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-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430925
N-(4-ethoxy-3-methylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 84600938
N-(4-methoxy-3-methylphenyl)morpholine-4-carboxamide
CID 47322511
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
(3R)-3-hydroxy-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide
CID 111431556
(3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430962
4-(4-hydroxypiperidin-1-yl)-N-(4-methoxy-3-methylphenyl)benzamide
CID 111331962
(3S)-N-(4-methoxy-3-methylphenyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 97003801
N-(4-methoxy-3-methylphenyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 71865837
(3S)-3-hydroxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]pyrrolidine-1-carboxamide
CID 124567707
4-hydroxy-N-[3-[(4-hydroxypiperidine-1-carbonyl)amino]-4-methylphenyl]piperidine-1-carboxamide
CID 41296153
(4-hydroxypiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone
CID 82480569

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-N-(4-methoxy-3-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-hydroxy-N-(4-methoxy-3-methylphenyl)pyrrolidine-1-carboxamide (CID 111431474) is (3R)-3-hydroxy-N-(4-methoxy-3-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-hydroxy-N-(4-methoxy-3-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-hydroxy-N-(4-methoxy-3-methylphenyl)pyrrolidine-1-carboxamide is COc1ccc(NC(=O)N2CC[C@@H](O)C2)cc1C.
What is the InChIKey of (3R)-3-hydroxy-N-(4-methoxy-3-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is HTRVUPFBYOHIMZ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-7-10(3-4-12(9)18-2)14-13(17)15-6-5-11(16)8-15/h3-4,7,11,16H,5-6,8H2,1-2H3,(H,14,17)/t11-/m1/s1.
What are the key properties of (3R)-3-hydroxy-N-(4-methoxy-3-methylphenyl)pyrrolidine-1-carboxamide?
(3R)-3-hydroxy-N-(4-methoxy-3-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-(4-methoxy-3-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111431474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).