3-ethyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrolidine-3-carboxamide

C12H24N2O3 — CID 107865730

IUPAC3-ethyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrolidine-3-carboxamide
SMILESCCC(CO)(CO)NC(=O)C1(CC)CCNC1
InChIInChI=1S/C12H24N2O3/c1-3-11(5-6-13-7-11)10(17)14-12(4-2,8-15)9-16/h13,15-16H,3-9H2,1-2H3,(H,14,17)
InChIKeyLXMZFWBPZOGDIU-UHFFFAOYSA-N
MW244.33 g/mol
LogP-0.37
Rot. Bonds6

About 3-ethyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrolidine-3-carboxamide

3-ethyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrolidine-3-carboxamide (PubChem CID 107865730) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-ethyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrolidine-3-carboxamide
PubChem CID107865730
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-ethyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrolidine-3-carboxamide
SMILESCCC(CO)(CO)NC(=O)C1(CC)CCNC1
InChIInChI=1S/C12H24N2O3/c1-3-11(5-6-13-7-11)10(17)14-12(4-2,8-15)9-16/h13,15-16H,3-9H2,1-2H3,(H,14,17)
InChIKeyLXMZFWBPZOGDIU-UHFFFAOYSA-N
XLogP-0.37
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-ethylpyrrolidine-3-carboxamide
CID 63140815
3-ethyl-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide
CID 55167066
3-ethyl-N-[1-(hydroxymethyl)cyclopentyl]pyrrolidine-3-carboxamide
CID 63142216
N-(2,2-dimethylbutyl)-3-ethylpyrrolidine-3-carboxamide
CID 103461536
N-(1,3-dihydroxypropan-2-yl)-3-ethylpyrrolidine-3-carboxamide
CID 65314830
3-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]piperidine-3-carboxamide
CID 106255498
4-ethyl-N-(3-methylpentan-3-yl)piperidine-4-carboxamide
CID 106328694
(2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63141520
3-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 55165904
N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide
CID 63141088
3-ethyl-N-[(1-methylcyclobutyl)methyl]pyrrolidine-3-carboxamide
CID 103826138
N-[3-(hydroxymethyl)pentan-3-yl]-2-methylpiperidine-2-carboxamide
CID 113430829

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrolidine-3-carboxamide (CID 107865730) is 3-ethyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrolidine-3-carboxamide is CCC(CO)(CO)NC(=O)C1(CC)CCNC1.
What is the InChIKey of 3-ethyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is LXMZFWBPZOGDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-11(5-6-13-7-11)10(17)14-12(4-2,8-15)9-16/h13,15-16H,3-9H2,1-2H3,(H,14,17).
What are the key properties of 3-ethyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrolidine-3-carboxamide?
3-ethyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 244.33 g/mol, XLogP of -0.37, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 107865730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).