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

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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).