3-[ethyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-methylpropanoic acid

C12H22N2O3 — CID 62853878

IUPAC3-[ethyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(=O)N1CCCC1)CC(C)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-13(8-10(2)12(16)17)9-11(15)14-6-4-5-7-14/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyGEBFXWNECQONTO-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.65
Rot. Bonds6

About 3-[ethyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-methylpropanoic acid

3-[ethyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-methylpropanoic acid (PubChem CID 62853878) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[ethyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-methylpropanoic acid
PubChem CID62853878
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-[ethyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(=O)N1CCCC1)CC(C)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-13(8-10(2)12(16)17)9-11(15)14-6-4-5-7-14/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyGEBFXWNECQONTO-UHFFFAOYSA-N
XLogP0.65
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-carboxyethyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-methylpropanoic acid
CID 82327027
3-[ethyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
CID 54899793
3-[[2-(azocan-1-yl)-2-oxoethyl]-ethylamino]propanoic acid
CID 61010359
(2S)-2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 95295952
2-[ethyl(2-hydroxyethyl)amino]-1-piperidin-1-ylethanone
CID 60685851
2-[[2-(azocan-1-yl)-2-oxoethyl]-propylamino]acetic acid
CID 61006933
1-(azepan-1-yl)-2-[butyl(ethyl)amino]ethanone
CID 86910796
2-methyl-3-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]propanoic acid
CID 82326930
2-methyl-3-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 55007832
1-(azepan-1-yl)-2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]ethanone
CID 56796763
3-[ethyl(propyl)amino]-2-methylpropanoic acid
CID 43538770
1-(azepan-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 62332976

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-methylpropanoic acid (CID 62853878) is 3-[ethyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-methylpropanoic acid is CCN(CC(=O)N1CCCC1)CC(C)C(=O)O.
What is the InChIKey of 3-[ethyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-methylpropanoic acid?
The InChIKey is GEBFXWNECQONTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-13(8-10(2)12(16)17)9-11(15)14-6-4-5-7-14/h10H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 3-[ethyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-methylpropanoic acid?
3-[ethyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-methylpropanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62853878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).