2-ethyl-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide

C11H21N3O2 — CID 83071991

IUPAC2-ethyl-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCCC(=O)NC)CCCN1
InChIInChI=1S/C11H21N3O2/c1-3-11(6-4-7-14-11)10(16)13-8-5-9(15)12-2/h14H,3-8H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyOQFJJOHBWGKZMM-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.23
Rot. Bonds5

About 2-ethyl-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide

2-ethyl-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide (PubChem CID 83071991) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-ethyl-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
PubChem CID83071991
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-ethyl-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCCC(=O)NC)CCCN1
InChIInChI=1S/C11H21N3O2/c1-3-11(6-4-7-14-11)10(16)13-8-5-9(15)12-2/h14H,3-8H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyOQFJJOHBWGKZMM-UHFFFAOYSA-N
XLogP-0.23
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyclopropylamino)-4-oxobutyl]-2-ethylpyrrolidine-2-carboxamide
CID 83073445
N-[2-(dimethylsulfamoyl)ethyl]-2-ethylpyrrolidine-2-carboxamide
CID 106337546
N-[3-(cyclopropylamino)-3-oxopropyl]-2-propylpyrrolidine-2-carboxamide
CID 106975460
2-ethyl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 83079812
(2R)-2-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 129381268
2-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 83080161
N-(azetidin-3-yl)-2-ethylpyrrolidine-2-carboxamide;hydrochloride
CID 130637882
3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid
CID 83071374
N-(2,3-dihydroxypropyl)-2-ethylpyrrolidine-2-carboxamide
CID 83072487
2-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 83072304
2-ethyl-N-[(3-methyloxetan-3-yl)methyl]pyrrolidine-2-carboxamide
CID 83073298
2-ethyl-N-[2-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 83072984

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide (CID 83071991) is 2-ethyl-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide is CCC1(C(=O)NCCC(=O)NC)CCCN1.
What is the InChIKey of 2-ethyl-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide?
The InChIKey is OQFJJOHBWGKZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-3-11(6-4-7-14-11)10(16)13-8-5-9(15)12-2/h14H,3-8H2,1-2H3,(H,12,15)(H,13,16).
What are the key properties of 2-ethyl-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide?
2-ethyl-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide has a molecular weight of 227.31 g/mol, XLogP of -0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 83071991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).