1-[2-(2,6-diethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid

C17H24N2O3 — CID 119908992

IUPAC1-[2-(2,6-diethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESCCc1cccc(CC)c1NC(=O)CN1CCCC1C(=O)O
InChIInChI=1S/C17H24N2O3/c1-3-12-7-5-8-13(4-2)16(12)18-15(20)11-19-10-6-9-14(19)17(21)22/h5,7-8,14H,3-4,6,9-11H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyGVDZPPQIIXPPAA-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.30
Rot. Bonds6

About 1-[2-(2,6-diethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid

1-[2-(2,6-diethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid (PubChem CID 119908992) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[2-(2,6-diethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,6-diethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
PubChem CID119908992
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-[2-(2,6-diethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESCCc1cccc(CC)c1NC(=O)CN1CCCC1C(=O)O
InChIInChI=1S/C17H24N2O3/c1-3-12-7-5-8-13(4-2)16(12)18-15(20)11-19-10-6-9-14(19)17(21)22/h5,7-8,14H,3-4,6,9-11H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyGVDZPPQIIXPPAA-UHFFFAOYSA-N
XLogP2.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,3-dimethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441823
1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909298
1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid
CID 43441072
(2S)-1-[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910617
N-(3,5-dichlorophenyl)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 55627894
1-[2-oxo-2-(3-propan-2-ylanilino)ethyl]pyrrolidine-2-carboxylic acid
CID 43441925
1-[2-(4-acetylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43442043
N-(2,6-diethylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 22197765
(2S)-1-[2-(2-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910659
1-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441726
N-(2-ethyl-6-methylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 16554808
1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441727

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-diethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2,6-diethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid (CID 119908992) is 1-[2-(2,6-diethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2,6-diethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2,6-diethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid is CCc1cccc(CC)c1NC(=O)CN1CCCC1C(=O)O.
What is the InChIKey of 1-[2-(2,6-diethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is GVDZPPQIIXPPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-12-7-5-8-13(4-2)16(12)18-15(20)11-19-10-6-9-14(19)17(21)22/h5,7-8,14H,3-4,6,9-11H2,1-2H3,(H,18,20)(H,21,22).
What are the key properties of 1-[2-(2,6-diethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid?
1-[2-(2,6-diethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 304.39 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-diethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119908992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).