1-(1-methyl-5-oxopyrrolidine-3-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid

C14H22N2O4 — CID 106982721

IUPAC1-(1-methyl-5-oxopyrrolidine-3-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(C(=O)C2CC(=O)N(C)C2)C1
InChIInChI=1S/C14H22N2O4/c1-9(2)14(13(19)20)4-5-16(8-14)12(18)10-6-11(17)15(3)7-10/h9-10H,4-8H2,1-3H3,(H,19,20)
InChIKeyXTHJSJIDUJVPJD-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.42
Rot. Bonds3

About 1-(1-methyl-5-oxopyrrolidine-3-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid

1-(1-methyl-5-oxopyrrolidine-3-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 106982721) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(1-methyl-5-oxopyrrolidine-3-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-methyl-5-oxopyrrolidine-3-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID106982721
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name1-(1-methyl-5-oxopyrrolidine-3-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(C(=O)C2CC(=O)N(C)C2)C1
InChIInChI=1S/C14H22N2O4/c1-9(2)14(13(19)20)4-5-16(8-14)12(18)10-6-11(17)15(3)7-10/h9-10H,4-8H2,1-3H3,(H,19,20)
InChIKeyXTHJSJIDUJVPJD-UHFFFAOYSA-N
XLogP0.42
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-methyl-5-oxopyrrolidine-3-carbonyl)-3-propan-2-ylpyrrolidine-3-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

4-(2-azaspiro[4.5]decane-2-carbonyl)-1-methylpyrrolidin-2-one
CID 127355360
3-propan-2-yl-1-(thiolane-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 106982802
(3R)-1-[(1S)-2,2-dimethylcyclopropanecarbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 129465596
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-methylpyrrolidin-2-one
CID 120816794
1-methyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 82508282
2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetic acid
CID 43521272
1-[(1-methylpiperidin-4-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983691
1-(cyclopent-3-en-1-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984032
1-(2-amino-3-methylbutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981591
1-[2-(aminomethyl)cyclohexanecarbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981578
1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983873
1-[(4-hydroxycyclohexyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983643

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-5-oxopyrrolidine-3-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1-methyl-5-oxopyrrolidine-3-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 106982721) is 1-(1-methyl-5-oxopyrrolidine-3-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-methyl-5-oxopyrrolidine-3-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1-methyl-5-oxopyrrolidine-3-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is CC(C)C1(C(=O)O)CCN(C(=O)C2CC(=O)N(C)C2)C1.
What is the InChIKey of 1-(1-methyl-5-oxopyrrolidine-3-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is XTHJSJIDUJVPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-9(2)14(13(19)20)4-5-16(8-14)12(18)10-6-11(17)15(3)7-10/h9-10H,4-8H2,1-3H3,(H,19,20).
What are the key properties of 1-(1-methyl-5-oxopyrrolidine-3-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-(1-methyl-5-oxopyrrolidine-3-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-5-oxopyrrolidine-3-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106982721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).