4-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrrolidine-2-carboxamide

C10H20N2O3S — CID 106247664

IUPAC4-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrrolidine-2-carboxamide
SMILESCSCC(C)(O)CNC(=O)C1CC(O)CN1
InChIInChI=1S/C10H20N2O3S/c1-10(15,6-16-2)5-12-9(14)8-3-7(13)4-11-8/h7-8,11,13,15H,3-6H2,1-2H3,(H,12,14)
InChIKeyORMUAPYEJNZVKO-UHFFFAOYSA-N
MW248.35 g/mol
LogP-1.06
Rot. Bonds5

About 4-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrrolidine-2-carboxamide

4-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrrolidine-2-carboxamide (PubChem CID 106247664) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrrolidine-2-carboxamide
PubChem CID106247664
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name4-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrrolidine-2-carboxamide
SMILESCSCC(C)(O)CNC(=O)C1CC(O)CN1
InChIInChI=1S/C10H20N2O3S/c1-10(15,6-16-2)5-12-9(14)8-3-7(13)4-11-8/h7-8,11,13,15H,3-6H2,1-2H3,(H,12,14)
InChIKeyORMUAPYEJNZVKO-UHFFFAOYSA-N
XLogP-1.06
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)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

(2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 28943534
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopentanecarboxamide
CID 90522931
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 106244731
2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid
CID 92860822
N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119812067
(2S,4R)-4-hydroxypyrrolidine-2-carbohydrazide
CID 45084250
N-[2-(dimethylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43310992
(2S,4S)-N-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28943524
4-hydroxy-N-octylpyrrolidine-2-carboxamide
CID 113337253
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 114163351
6-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65285883
4-hydroxy-N-[2-methyl-2-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119756992

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrrolidine-2-carboxamide (CID 106247664) is 4-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrrolidine-2-carboxamide is CSCC(C)(O)CNC(=O)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrrolidine-2-carboxamide?
The InChIKey is ORMUAPYEJNZVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-10(15,6-16-2)5-12-9(14)8-3-7(13)4-11-8/h7-8,11,13,15H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 4-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrrolidine-2-carboxamide?
4-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrrolidine-2-carboxamide has a molecular weight of 248.35 g/mol, XLogP of -1.06, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 106247664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).