N-(2-cyclohexyl-2-hydroxyethyl)-4-hydroxypyrrolidine-2-carboxamide

C13H24N2O3 — CID 122145254

IUPACN-(2-cyclohexyl-2-hydroxyethyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCC(O)C1CCCCC1)C1CC(O)CN1
InChIInChI=1S/C13H24N2O3/c16-10-6-11(14-7-10)13(18)15-8-12(17)9-4-2-1-3-5-9/h9-12,14,16-17H,1-8H2,(H,15,18)
InChIKeyJLPPUMSQIIVSLU-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.23
Rot. Bonds4

About N-(2-cyclohexyl-2-hydroxyethyl)-4-hydroxypyrrolidine-2-carboxamide

N-(2-cyclohexyl-2-hydroxyethyl)-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 122145254) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-hydroxyethyl)-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-hydroxyethyl)-4-hydroxypyrrolidine-2-carboxamide
PubChem CID122145254
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-(2-cyclohexyl-2-hydroxyethyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCC(O)C1CCCCC1)C1CC(O)CN1
InChIInChI=1S/C13H24N2O3/c16-10-6-11(14-7-10)13(18)15-8-12(17)9-4-2-1-3-5-9/h9-12,14,16-17H,1-8H2,(H,15,18)
InChIKeyJLPPUMSQIIVSLU-UHFFFAOYSA-N
XLogP-0.23
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124686388
4-hydroxy-N-(2-hydroxy-3-methylpentyl)pyrrolidine-2-carboxamide
CID 119784032
N-[(1S)-1-cyclopentylethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 81391568
N-(2-cyclopropyl-2-hydroxyethyl)pyrrolidine-2-carboxamide
CID 63297013
N-(2-cyclohexyl-2-hydroxyethyl)pyrrolidine-3-carboxamide
CID 119731741
(2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 28943534
N-[2-(cyclopropanecarbonylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 115738030
(2R,4S)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 125138942
(2S,4R)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 125150269
(2S,4R)-N-cyclobutyl-4-hydroxypyrrolidine-2-carboxamide
CID 66855041
2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid
CID 92860822
4-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxamide
CID 43515171

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-4-hydroxypyrrolidine-2-carboxamide (CID 122145254) is N-(2-cyclohexyl-2-hydroxyethyl)-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-cyclohexyl-2-hydroxyethyl)-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-cyclohexyl-2-hydroxyethyl)-4-hydroxypyrrolidine-2-carboxamide is O=C(NCC(O)C1CCCCC1)C1CC(O)CN1.
What is the InChIKey of N-(2-cyclohexyl-2-hydroxyethyl)-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is JLPPUMSQIIVSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c16-10-6-11(14-7-10)13(18)15-8-12(17)9-4-2-1-3-5-9/h9-12,14,16-17H,1-8H2,(H,15,18).
What are the key properties of N-(2-cyclohexyl-2-hydroxyethyl)-4-hydroxypyrrolidine-2-carboxamide?
N-(2-cyclohexyl-2-hydroxyethyl)-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 256.35 g/mol, XLogP of -0.23, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-2-hydroxyethyl)-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 122145254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).