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

C12H19N3O4 — CID 79382968

IUPAC2-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)NC1CCCNC1=O
InChIInChI=1S/C12H19N3O4/c1-7-8(11(17)18)4-6-15(7)12(19)14-9-3-2-5-13-10(9)16/h7-9H,2-6H2,1H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyGXGUFRJMXBUJBE-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.23
Rot. Bonds2

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

2-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 79382968) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID79382968
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)NC1CCCNC1=O
InChIInChI=1S/C12H19N3O4/c1-7-8(11(17)18)4-6-15(7)12(19)14-9-3-2-5-13-10(9)16/h7-9H,2-6H2,1H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyGXGUFRJMXBUJBE-UHFFFAOYSA-N
XLogP-0.23
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 79382968) is 2-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1C(=O)NC1CCCNC1=O.
What is the InChIKey of 2-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is GXGUFRJMXBUJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-7-8(11(17)18)4-6-15(7)12(19)14-9-3-2-5-13-10(9)16/h7-9H,2-6H2,1H3,(H,13,16)(H,14,19)(H,17,18).
What are the key properties of 2-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
2-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79382968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).