4-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]pyrrolidine-2-carboxamide

C12H22N2O3 — CID 112753360

IUPAC4-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CCC(CO)CC1)C1CC(O)CN1
InChIInChI=1S/C12H22N2O3/c15-7-8-1-3-9(4-2-8)14-12(17)11-5-10(16)6-13-11/h8-11,13,15-16H,1-7H2,(H,14,17)
InChIKeyPHRXOQMVYAYAJL-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.62
Rot. Bonds3

About 4-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]pyrrolidine-2-carboxamide

4-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]pyrrolidine-2-carboxamide (PubChem CID 112753360) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]pyrrolidine-2-carboxamide
PubChem CID112753360
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name4-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CCC(CO)CC1)C1CC(O)CN1
InChIInChI=1S/C12H22N2O3/c15-7-8-1-3-9(4-2-8)14-12(17)11-5-10(16)6-13-11/h8-11,13,15-16H,1-7H2,(H,14,17)
InChIKeyPHRXOQMVYAYAJL-UHFFFAOYSA-N
XLogP-0.62
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4R)-N-cyclobutyl-4-hydroxypyrrolidine-2-carboxamide
CID 66855041
N-(3-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide
CID 64748039
4-hydroxy-N-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119834916
4-hydroxy-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 43317965
4-hydroxy-N-(thian-3-yl)pyrrolidine-2-carboxamide
CID 115740732
N-[4-(cyclopropylamino)-4-oxobutyl]-4-hydroxypyrrolidine-2-carboxamide
CID 79401002
4-hydroxy-N-(1-methylpiperidin-3-yl)pyrrolidine-2-carboxamide
CID 61212180
N-(2-bicyclo[2.2.1]heptanyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119790639
N-(1,1-dioxothian-3-yl)-4-hydroxypyrrolidine-2-carboxamide
CID 63922551
(2R,4S)-N-[(3S)-1-ethylpiperidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 124832336
(2R,4R)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 124701668
(2R,4S)-N-(2-ethylcyclopropyl)-4-hydroxypyrrolidine-2-carboxamide
CID 130774710

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]pyrrolidine-2-carboxamide (CID 112753360) is 4-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]pyrrolidine-2-carboxamide is O=C(NC1CCC(CO)CC1)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]pyrrolidine-2-carboxamide?
The InChIKey is PHRXOQMVYAYAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c15-7-8-1-3-9(4-2-8)14-12(17)11-5-10(16)6-13-11/h8-11,13,15-16H,1-7H2,(H,14,17).
What are the key properties of 4-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]pyrrolidine-2-carboxamide?
4-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]pyrrolidine-2-carboxamide has a molecular weight of 242.32 g/mol, XLogP of -0.62, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 112753360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).