N-ethyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide

C12H22N2O2 — CID 170386383

IUPACN-ethyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
SMILESCCNC(=O)C1CCCN1C(=O)CC(C)C
InChIInChI=1S/C12H22N2O2/c1-4-13-12(16)10-6-5-7-14(10)11(15)8-9(2)3/h9-10H,4-8H2,1-3H3,(H,13,16)
InChIKeyLXKAKJUXTCTGJI-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.16
Rot. Bonds4

About N-ethyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide

N-ethyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide (PubChem CID 170386383) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-ethyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
PubChem CID170386383
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-ethyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
SMILESCCNC(=O)C1CCCN1C(=O)CC(C)C
InChIInChI=1S/C12H22N2O2/c1-4-13-12(16)10-6-5-7-14(10)11(15)8-9(2)3/h9-10H,4-8H2,1-3H3,(H,13,16)
InChIKeyLXKAKJUXTCTGJI-UHFFFAOYSA-N
XLogP1.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 10535993
N-benzyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170418185
N-[(4-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170385944
(2S)-N-ethyl-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxamide
CID 14282316
N-[(3-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170578293
(2S)-1-[(2S)-2-(2,2-dimethylpropanoylamino)propanoyl]-N-ethylpyrrolidine-2-carboxamide
CID 54069364
S-[3-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-2-methyl-3-oxopropyl] ethanethioate
CID 14282330
1-(3-aminobutanoyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119736640
3-methyl-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 110285986
1-[2-[bis(ethylamino)methylideneamino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 111117487
(2S)-N,1-diethylpyrrolidine-2-carboxamide;hydrochloride
CID 66936572
1-(2-methylpropanoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 156794409

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-ethyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide (CID 170386383) is N-ethyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-ethyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-ethyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide is CCNC(=O)C1CCCN1C(=O)CC(C)C.
What is the InChIKey of N-ethyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide?
The InChIKey is LXKAKJUXTCTGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-13-12(16)10-6-5-7-14(10)11(15)8-9(2)3/h9-10H,4-8H2,1-3H3,(H,13,16).
What are the key properties of N-ethyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide?
N-ethyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 170386383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).