2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid

C11H17N3O4 — CID 106191753

IUPAC2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)NC1CNC(=O)C1
InChIInChI=1S/C11H17N3O4/c1-6-8(10(16)17)2-3-14(6)11(18)13-7-4-9(15)12-5-7/h6-8H,2-5H2,1H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyXJUDSNJGCUOWGQ-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.62
Rot. Bonds2

About 2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid

2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 106191753) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID106191753
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)NC1CNC(=O)C1
InChIInChI=1S/C11H17N3O4/c1-6-8(10(16)17)2-3-14(6)11(18)13-7-4-9(15)12-5-7/h6-8H,2-5H2,1H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyXJUDSNJGCUOWGQ-UHFFFAOYSA-N
XLogP-0.62
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylic acid
CID 106191895
2-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79382968
2-methyl-1-[(5-oxopyrrolidin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79383612
cis-(1S,2R)-2-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 106184592
3-[(5-oxopyrrolidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106191704
2-methyl-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79383195
cis-(1S,2R)-2-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 106184637
2-methyl-N-(5-oxopyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 130778358
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
4-ethyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylic acid
CID 106192114
3-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114156975
4-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-carboxamide
CID 78917414

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 106191753) is 2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1C(=O)NC1CNC(=O)C1.
What is the InChIKey of 2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is XJUDSNJGCUOWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-6-8(10(16)17)2-3-14(6)11(18)13-7-4-9(15)12-5-7/h6-8H,2-5H2,1H3,(H,12,15)(H,13,18)(H,16,17).
What are the key properties of 2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of -0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106191753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).