4-hydroxy-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide

C12H22N2O2 — CID 43317965

IUPAC4-hydroxy-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide
SMILESCC1CCCC(NC(=O)C2CC(O)CN2)C1
InChIInChI=1S/C12H22N2O2/c1-8-3-2-4-9(5-8)14-12(16)11-6-10(15)7-13-11/h8-11,13,15H,2-7H2,1H3,(H,14,16)
InChIKeyPGYNSPBLPYSDHN-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.40
Rot. Bonds2

About 4-hydroxy-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide

4-hydroxy-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide (PubChem CID 43317965) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-hydroxy-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide
PubChem CID43317965
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-hydroxy-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide
SMILESCC1CCCC(NC(=O)C2CC(O)CN2)C1
InChIInChI=1S/C12H22N2O2/c1-8-3-2-4-9(5-8)14-12(16)11-6-10(15)7-13-11/h8-11,13,15H,2-7H2,1H3,(H,14,16)
InChIKeyPGYNSPBLPYSDHN-UHFFFAOYSA-N
XLogP0.40
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-N-cyclobutyl-4-hydroxypyrrolidine-2-carboxamide
CID 66855041
5-methyl-N-(3-methylcyclohexyl)piperazine-2-carboxamide
CID 63103124
N-(3-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide
CID 64748039
4-hydroxy-N-(thian-3-yl)pyrrolidine-2-carboxamide
CID 115740732
4-hydroxy-N-(1-methylpiperidin-3-yl)pyrrolidine-2-carboxamide
CID 61212180
N-(1,1-dioxothian-3-yl)-4-hydroxypyrrolidine-2-carboxamide
CID 63922551
N-(2,3-dimethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 120607881
(2R,4S)-N-[(3S)-1-ethylpiperidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 124832336
N-[(1S)-1-cyclopentylethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 81391568
4-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]pyrrolidine-2-carboxamide
CID 112753360
N-[(3S)-3-methylcyclohexyl]acetamide
CID 143244343
(3-methylcyclohexyl)carbamic acid
CID 67410451

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide (CID 43317965) is 4-hydroxy-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide is CC1CCCC(NC(=O)C2CC(O)CN2)C1.
What is the InChIKey of 4-hydroxy-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide?
The InChIKey is PGYNSPBLPYSDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-8-3-2-4-9(5-8)14-12(16)11-6-10(15)7-13-11/h8-11,13,15H,2-7H2,1H3,(H,14,16).
What are the key properties of 4-hydroxy-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide?
4-hydroxy-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 43317965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).