N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylpyrrolidine-2-carboxamide

C11H22N2O4 — CID 114009242

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NC(CO)(CO)CO)CCCN1
InChIInChI=1S/C11H22N2O4/c1-2-11(4-3-5-12-11)9(17)13-10(6-14,7-15)8-16/h12,14-16H,2-8H2,1H3,(H,13,17)
InChIKeyVNKMYQYWQREVKQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP-1.65
Rot. Bonds6

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylpyrrolidine-2-carboxamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylpyrrolidine-2-carboxamide (PubChem CID 114009242) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylpyrrolidine-2-carboxamide
PubChem CID114009242
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NC(CO)(CO)CO)CCCN1
InChIInChI=1S/C11H22N2O4/c1-2-11(4-3-5-12-11)9(17)13-10(6-14,7-15)8-16/h12,14-16H,2-8H2,1H3,(H,13,17)
InChIKeyVNKMYQYWQREVKQ-UHFFFAOYSA-N
XLogP-1.65
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-1.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylpyrrolidine-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

2-ethyl-N-ethylsulfonylpyrrolidine-2-carboxamide
CID 103307069
N-(2,3-dihydroxypropyl)-2-ethylpyrrolidine-2-carboxamide
CID 83072487
2-ethyl-N-propylsulfonylpyrrolidine-2-carboxamide
CID 103307585
2-ethyl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 83079812
N-(azetidin-3-yl)-2-ethylpyrrolidine-2-carboxamide;hydrochloride
CID 130637882
2-ethyl-N-propan-2-ylsulfonylpyrrolidine-2-carboxamide
CID 103308078
2-ethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide
CID 83063608
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpyrrolidine-2-carboxamide
CID 107163864
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylpyrrolidine-2-carboxamide
CID 83079627
3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid
CID 83071374
2-ethyl-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 83071991
N-(2,6-dimethylpiperidin-1-yl)-2-ethylpyrrolidine-2-carboxamide
CID 83074390

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylpyrrolidine-2-carboxamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylpyrrolidine-2-carboxamide (CID 114009242) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylpyrrolidine-2-carboxamide is CCC1(C(=O)NC(CO)(CO)CO)CCCN1.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylpyrrolidine-2-carboxamide?
The InChIKey is VNKMYQYWQREVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-2-11(4-3-5-12-11)9(17)13-10(6-14,7-15)8-16/h12,14-16H,2-8H2,1H3,(H,13,17).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylpyrrolidine-2-carboxamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylpyrrolidine-2-carboxamide has a molecular weight of 246.31 g/mol, XLogP of -1.65, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 114009242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).