1-(1-methoxy-2-methyl-1-oxopropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid

C10H15NO5 — CID 82680909

IUPAC1-(1-methoxy-2-methyl-1-oxopropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOC(=O)C(C)(C)N1CC(C(=O)O)CC1=O
InChIInChI=1S/C10H15NO5/c1-10(2,9(15)16-3)11-5-6(8(13)14)4-7(11)12/h6H,4-5H2,1-3H3,(H,13,14)
InChIKeyJNJSUURYZSWTHA-UHFFFAOYSA-N
MW229.23 g/mol
LogP-0.13
Rot. Bonds3

About 1-(1-methoxy-2-methyl-1-oxopropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid

1-(1-methoxy-2-methyl-1-oxopropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 82680909) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is 1-(1-methoxy-2-methyl-1-oxopropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-methoxy-2-methyl-1-oxopropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID82680909
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name1-(1-methoxy-2-methyl-1-oxopropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOC(=O)C(C)(C)N1CC(C(=O)O)CC1=O
InChIInChI=1S/C10H15NO5/c1-10(2,9(15)16-3)11-5-6(8(13)14)4-7(11)12/h6H,4-5H2,1-3H3,(H,13,14)
InChIKeyJNJSUURYZSWTHA-UHFFFAOYSA-N
XLogP-0.13
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylic acid
CID 735283
methyl (3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylate
CID 92755216
1-(3-methoxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid
CID 103034262
methyl 2-methyl-2-(2-oxo-4-phenylimidazolidin-1-yl)propanoate
CID 116980390
1-hydroxy-5-oxopyrrolidine-3-carboxylic acid
CID 55300200
methyl 2-[[(3R)-1-cyclopropyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
CID 95613360
1-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690445
1-(3-hydroxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83192927
1-(1,3-dihydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696106
1-(2,2-dimethoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 82675148
1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyldisulfanyl]ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690443
methyl 1-(3-hydroxy-2,2-dimethylpropyl)-5-oxopyrrolidine-3-carboxylate
CID 168692968

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-2-methyl-1-oxopropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1-methoxy-2-methyl-1-oxopropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid (CID 82680909) is 1-(1-methoxy-2-methyl-1-oxopropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-methoxy-2-methyl-1-oxopropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1-methoxy-2-methyl-1-oxopropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid is COC(=O)C(C)(C)N1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-(1-methoxy-2-methyl-1-oxopropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is JNJSUURYZSWTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-10(2,9(15)16-3)11-5-6(8(13)14)4-7(11)12/h6H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 1-(1-methoxy-2-methyl-1-oxopropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid?
1-(1-methoxy-2-methyl-1-oxopropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 229.23 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-2-methyl-1-oxopropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 82680909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).