2-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid

C13H21N3O4 — CID 103994653

IUPAC2-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1C(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C13H21N3O4/c1-13(11(18)19)5-4-8-16(13)12(20)14-9-10(17)15-6-2-3-7-15/h2-9H2,1H3,(H,14,20)(H,18,19)
InChIKeyPHLFGJUQUHPTGL-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.26
Rot. Bonds3

About 2-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid

2-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 103994653) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID103994653
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name2-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1C(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C13H21N3O4/c1-13(11(18)19)5-4-8-16(13)12(20)14-9-10(17)15-6-2-3-7-15/h2-9H2,1H3,(H,14,20)(H,18,19)
InChIKeyPHLFGJUQUHPTGL-UHFFFAOYSA-N
XLogP0.26
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid
CID 104597937
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 113431021
2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 104595535
1-(2-aminoethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597979
2-methyl-1-(2,3,3-trimethylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83144196
1-(cyclopropylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597783
2-methyl-1-(5-methylhexylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 113287701
1-[(3-amino-3-oxopropyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597930
1-[2-(dimethylsulfamoyl)ethylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid
CID 106341166
2-methyl-1-(octylcarbamoyl)piperidine-2-carboxylic acid
CID 104598392
2-methyl-1-(pent-3-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 116644863
1-[2-(2-methoxyethoxy)ethylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598137

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 103994653) is 2-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid is CC1(C(=O)O)CCCN1C(=O)NCC(=O)N1CCCC1.
What is the InChIKey of 2-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is PHLFGJUQUHPTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-13(11(18)19)5-4-8-16(13)12(20)14-9-10(17)15-6-2-3-7-15/h2-9H2,1H3,(H,14,20)(H,18,19).
What are the key properties of 2-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid?
2-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 103994653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).