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

C11H22N2O3 — CID 119784032

IUPAC4-hydroxy-N-(2-hydroxy-3-methylpentyl)pyrrolidine-2-carboxamide
SMILESCCC(C)C(O)CNC(=O)C1CC(O)CN1
InChIInChI=1S/C11H22N2O3/c1-3-7(2)10(15)6-13-11(16)9-4-8(14)5-12-9/h7-10,12,14-15H,3-6H2,1-2H3,(H,13,16)
InChIKeyYYOMEZIVSJKZIC-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.77
Rot. Bonds5

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

4-hydroxy-N-(2-hydroxy-3-methylpentyl)pyrrolidine-2-carboxamide (PubChem CID 119784032) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-hydroxy-N-(2-hydroxy-3-methylpentyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-hydroxy-3-methylpentyl)pyrrolidine-2-carboxamide
PubChem CID119784032
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name4-hydroxy-N-(2-hydroxy-3-methylpentyl)pyrrolidine-2-carboxamide
SMILESCCC(C)C(O)CNC(=O)C1CC(O)CN1
InChIInChI=1S/C11H22N2O3/c1-3-7(2)10(15)6-13-11(16)9-4-8(14)5-12-9/h7-10,12,14-15H,3-6H2,1-2H3,(H,13,16)
InChIKeyYYOMEZIVSJKZIC-UHFFFAOYSA-N
XLogP-0.77
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 28943534
4-hydroxy-N-(2-propylhexyl)pyrrolidine-2-carboxamide
CID 119811886
(2R,4S)-N-butan-2-yl-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 130719317
N-(2-cyclohexyl-2-hydroxyethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 122145254
N-(2-hydroxy-3-methylpentyl)morpholine-3-carboxamide;hydrochloride
CID 119784019
CID 160581265
CID 160581265
4-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxamide
CID 43515171
(2R,4R)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124686388
4-hydroxy-N-[2-(2-methylphenoxy)propyl]pyrrolidine-2-carboxamide
CID 119804985
4-hydroxy-N-octylpyrrolidine-2-carboxamide
CID 113337253
(2R,4R)-N-[(2R)-2-(2-chlorophenoxy)propyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125134999
(2R,4S)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 125138942

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2-hydroxy-3-methylpentyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-(2-hydroxy-3-methylpentyl)pyrrolidine-2-carboxamide (CID 119784032) is 4-hydroxy-N-(2-hydroxy-3-methylpentyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(2-hydroxy-3-methylpentyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-(2-hydroxy-3-methylpentyl)pyrrolidine-2-carboxamide is CCC(C)C(O)CNC(=O)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-(2-hydroxy-3-methylpentyl)pyrrolidine-2-carboxamide?
The InChIKey is YYOMEZIVSJKZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-7(2)10(15)6-13-11(16)9-4-8(14)5-12-9/h7-10,12,14-15H,3-6H2,1-2H3,(H,13,16).
What are the key properties of 4-hydroxy-N-(2-hydroxy-3-methylpentyl)pyrrolidine-2-carboxamide?
4-hydroxy-N-(2-hydroxy-3-methylpentyl)pyrrolidine-2-carboxamide has a molecular weight of 230.31 g/mol, XLogP of -0.77, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2-hydroxy-3-methylpentyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 119784032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).