N-(2,3-dimethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride

C13H25ClN2O2 — CID 120607881

IUPACN-(2,3-dimethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
SMILESCC1CCCC(NC(=O)C2CC(O)CN2)C1C.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-8-4-3-5-11(9(8)2)15-13(17)12-6-10(16)7-14-12;/h8-12,14,16H,3-7H2,1-2H3,(H,15,17);1H
InChIKeyQSEBUDVEWIIGRU-UHFFFAOYSA-N
MW276.81 g/mol
LogP1.07
Rot. Bonds2

About N-(2,3-dimethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride

N-(2,3-dimethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride (PubChem CID 120607881) has the molecular formula C13H25ClN2O2 and a molecular weight of 276.81 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
PubChem CID120607881
Molecular FormulaC13H25ClN2O2
Molecular Weight276.81 g/mol
Exact Mass276.16
IUPAC NameN-(2,3-dimethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
SMILESCC1CCCC(NC(=O)C2CC(O)CN2)C1C.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-8-4-3-5-11(9(8)2)15-13(17)12-6-10(16)7-14-12;/h8-12,14,16H,3-7H2,1-2H3,(H,15,17);1H
InChIKeyQSEBUDVEWIIGRU-UHFFFAOYSA-N
XLogP1.07
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-N-cyclobutyl-4-hydroxypyrrolidine-2-carboxamide
CID 66855041
N-(2-bicyclo[2.2.1]heptanyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119790639
N-(2-ethylsulfanylcyclopentyl)-4-hydroxypyrrolidine-2-carboxamide
CID 103812895
4-hydroxy-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 43317965
N-(2,3-dimethylcyclohexyl)azepane-2-carboxamide
CID 64562992
N-(2,3-dimethylcyclohexyl)-3-methylpiperidine-2-carboxamide
CID 55060363
(2R,4S)-N-(2-ethylcyclopropyl)-4-hydroxypyrrolidine-2-carboxamide
CID 130774710
3-amino-N-(2,3-dimethylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride
CID 119676180
4-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102629347
N-(2,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43185707
N-(3-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide
CID 64748039
N-(2-methylcyclopentyl)pyrrolidine-2-carboxamide
CID 63281892

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride (CID 120607881) is N-(2,3-dimethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride is CC1CCCC(NC(=O)C2CC(O)CN2)C1C.Cl.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is QSEBUDVEWIIGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2.ClH/c1-8-4-3-5-11(9(8)2)15-13(17)12-6-10(16)7-14-12;/h8-12,14,16H,3-7H2,1-2H3,(H,15,17);1H.
What are the key properties of N-(2,3-dimethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
N-(2,3-dimethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 276.81 g/mol, XLogP of 1.07, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120607881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).