2-ethyl-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-1-carboxylic acid

C14H23NO5 — CID 91489707

IUPAC2-ethyl-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-1-carboxylic acid
SMILESCCC1(C(=O)OC(C)(C)C)CC(C)(C)C(=O)N1C(=O)O
InChIInChI=1S/C14H23NO5/c1-7-14(10(17)20-12(2,3)4)8-13(5,6)9(16)15(14)11(18)19/h7-8H2,1-6H3,(H,18,19)
InChIKeyKNGUHYAXTCMFLK-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.41
Rot. Bonds2

About 2-ethyl-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-1-carboxylic acid

2-ethyl-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-1-carboxylic acid (PubChem CID 91489707) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-ethyl-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-1-carboxylic acid
PubChem CID91489707
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name2-ethyl-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-1-carboxylic acid
SMILESCCC1(C(=O)OC(C)(C)C)CC(C)(C)C(=O)N1C(=O)O
InChIInChI=1S/C14H23NO5/c1-7-14(10(17)20-12(2,3)4)8-13(5,6)9(16)15(14)11(18)19/h7-8H2,1-6H3,(H,18,19)
InChIKeyKNGUHYAXTCMFLK-UHFFFAOYSA-N
XLogP2.41
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-Di-tert-butyl 2-methyl-5-oxopyrrolidine-1,2-dicarboxylate
CID 66982058
ditert-butyl (2S,3S)-2,3-dimethyl-5-oxopyrrolidine-1,2-dicarboxylate
CID 91565837
2-Oxa-5-azaspiro[3.4]octane-5-carboxylic acid, 1,1-dimethyl-3,6-dioxo-, 1,1-dimethylethyl ester
CID 11414525
(2R)-1-tert-butoxycarbonyl-2-methyl-5-oxo-pyrrolidine-2-carboxylic acid
CID 25193406
Methyl (2S)-1-tert-Boc-2,4,4-trimethylpyroglutamate
CID 29983443
1-Tert-butoxycarbonyl-2-methyl-5-oxo-pyrrolidine-2-carboxylic acid
CID 44181973
(2S)-1-tert-butoxycarbonyl-2-methyl-5-oxo-pyrrolidine-2-carboxylic acid
CID 51064128
(2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid
CID 52987767
1-O-tert-butyl 2-O-methyl 2,4,4-trimethyl-5-oxopyrrolidine-1,2-dicarboxylate
CID 53762425
2,4-Dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid
CID 53957737
1-tert-Butyl 2-ethyl 2,4,4-trimethyl-5-oxopyrrolidine-1,2-dicarboxylate
CID 57680548
(S)-1-tert-Butyl 2-methyl 2-methyl-5-oxopyrrolidine-1,2-dicarboxylate
CID 59436404

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-1-carboxylic acid?
The IUPAC name of 2-ethyl-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-1-carboxylic acid (CID 91489707) is 2-ethyl-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-ethyl-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-ethyl-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-1-carboxylic acid is CCC1(C(=O)OC(C)(C)C)CC(C)(C)C(=O)N1C(=O)O.
What is the InChIKey of 2-ethyl-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-1-carboxylic acid?
The InChIKey is KNGUHYAXTCMFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-7-14(10(17)20-12(2,3)4)8-13(5,6)9(16)15(14)11(18)19/h7-8H2,1-6H3,(H,18,19).
What are the key properties of 2-ethyl-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-1-carboxylic acid?
2-ethyl-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-1-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-1-carboxylic acid is sourced from PubChem (CID 91489707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).