2-ethyl-N-[(3-methyloxetan-3-yl)methyl]pyrrolidine-2-carboxamide

C12H22N2O2 — CID 83073298

IUPAC2-ethyl-N-[(3-methyloxetan-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCC2(C)COC2)CCCN1
InChIInChI=1S/C12H22N2O2/c1-3-12(5-4-6-14-12)10(15)13-7-11(2)8-16-9-11/h14H,3-9H2,1-2H3,(H,13,15)
InChIKeyKWGYXMQEZFAJPL-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.67
Rot. Bonds4

About 2-ethyl-N-[(3-methyloxetan-3-yl)methyl]pyrrolidine-2-carboxamide

2-ethyl-N-[(3-methyloxetan-3-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 83073298) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-ethyl-N-[(3-methyloxetan-3-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[(3-methyloxetan-3-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID83073298
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-ethyl-N-[(3-methyloxetan-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCC2(C)COC2)CCCN1
InChIInChI=1S/C12H22N2O2/c1-3-12(5-4-6-14-12)10(15)13-7-11(2)8-16-9-11/h14H,3-9H2,1-2H3,(H,13,15)
InChIKeyKWGYXMQEZFAJPL-UHFFFAOYSA-N
XLogP0.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpyrrolidine-2-carboxamide
CID 107163864
2-ethyl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 83079812
3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid
CID 83071374
2-ethyl-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 83071991
N-(2,3-dihydroxypropyl)-2-ethylpyrrolidine-2-carboxamide
CID 83072487
2-ethyl-N-ethylsulfonylpyrrolidine-2-carboxamide
CID 103307069
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylpyrrolidine-2-carboxamide
CID 114009242
N-(azetidin-3-yl)-2-ethylpyrrolidine-2-carboxamide;hydrochloride
CID 130637882
2-ethyl-N-(oxan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 83072536
N-[(2-methyloxolan-2-yl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106975500
N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071544
3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methoxypropanoic acid
CID 106108847

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(3-methyloxetan-3-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-N-[(3-methyloxetan-3-yl)methyl]pyrrolidine-2-carboxamide (CID 83073298) is 2-ethyl-N-[(3-methyloxetan-3-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-N-[(3-methyloxetan-3-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-N-[(3-methyloxetan-3-yl)methyl]pyrrolidine-2-carboxamide is CCC1(C(=O)NCC2(C)COC2)CCCN1.
What is the InChIKey of 2-ethyl-N-[(3-methyloxetan-3-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is KWGYXMQEZFAJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-12(5-4-6-14-12)10(15)13-7-11(2)8-16-9-11/h14H,3-9H2,1-2H3,(H,13,15).
What are the key properties of 2-ethyl-N-[(3-methyloxetan-3-yl)methyl]pyrrolidine-2-carboxamide?
2-ethyl-N-[(3-methyloxetan-3-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(3-methyloxetan-3-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 83073298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).