(3R)-N-(2,6-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide

C13H18N2O2 — CID 111431144

IUPAC(3R)-N-(2,6-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C13H18N2O2/c1-9-4-3-5-10(2)12(9)14-13(17)15-7-6-11(16)8-15/h3-5,11,16H,6-8H2,1-2H3,(H,14,17)/t11-/m1/s1
InChIKeyWBEITFMPDRMVLL-LLVKDONJSA-N
MW234.30 g/mol
LogP1.90
Rot. Bonds1

About (3R)-N-(2,6-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide

(3R)-N-(2,6-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide (PubChem CID 111431144) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (3R)-N-(2,6-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2,6-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
PubChem CID111431144
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(3R)-N-(2,6-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C13H18N2O2/c1-9-4-3-5-10(2)12(9)14-13(17)15-7-6-11(16)8-15/h3-5,11,16H,6-8H2,1-2H3,(H,14,17)/t11-/m1/s1
InChIKeyWBEITFMPDRMVLL-LLVKDONJSA-N
XLogP1.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-3-methylbenzoic acid
CID 62941573
N-(2-ethyl-6-methylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47192750
N-[2-(difluoromethoxy)-6-methylphenyl]-3-hydroxypiperidine-1-carboxamide
CID 111111727
(3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430925
N-(4-bromo-2,6-dimethylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47223501
4-benzamido-N-(2,6-dimethylphenyl)piperidine-1-carboxamide
CID 43814093
(2-fluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 81481180
N-(2,6-dimethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
CID 91906267
(3S)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide
CID 124607684
3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 62918134
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 66291772
(3R)-N-(2-chloro-6-methylphenyl)-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide
CID 99634516

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,6-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-(2,6-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide (CID 111431144) is (3R)-N-(2,6-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(2,6-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-(2,6-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide is Cc1cccc(C)c1NC(=O)N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-N-(2,6-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide?
The InChIKey is WBEITFMPDRMVLL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-4-3-5-10(2)12(9)14-13(17)15-7-6-11(16)8-15/h3-5,11,16H,6-8H2,1-2H3,(H,14,17)/t11-/m1/s1.
What are the key properties of (3R)-N-(2,6-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide?
(3R)-N-(2,6-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,6-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 111431144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).