1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid

C13H14N2O4 — CID 3329799

IUPAC1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1ccccc1C(=O)NN1CC(C(=O)O)CC1=O
InChIInChI=1S/C13H14N2O4/c1-8-4-2-3-5-10(8)12(17)14-15-7-9(13(18)19)6-11(15)16/h2-5,9H,6-7H2,1H3,(H,14,17)(H,18,19)
InChIKeyAVZWBGNPCHGQTI-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.57
Rot. Bonds3

About 1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid

1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 3329799) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID3329799
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1ccccc1C(=O)NN1CC(C(=O)O)CC1=O
InChIInChI=1S/C13H14N2O4/c1-8-4-2-3-5-10(8)12(17)14-15-7-9(13(18)19)6-11(15)16/h2-5,9H,6-7H2,1H3,(H,14,17)(H,18,19)
InChIKeyAVZWBGNPCHGQTI-UHFFFAOYSA-N
XLogP0.57
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid (CID 3329799) is 1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid is Cc1ccccc1C(=O)NN1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is AVZWBGNPCHGQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-8-4-2-3-5-10(8)12(17)14-15-7-9(13(18)19)6-11(15)16/h2-5,9H,6-7H2,1H3,(H,14,17)(H,18,19).
What are the key properties of 1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid?
1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 262.26 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 3329799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).