2-(3-carbamoyl-2-oxocyclohepta[b]pyrrol-1-yl)acetic acid

C12H10N2O4 — CID 12852685

IUPAC2-(3-carbamoyl-2-oxocyclohepta[b]pyrrol-1-yl)acetic acid
SMILESNC(=O)c1c2cccccc-2n(CC(=O)O)c1=O
InChIInChI=1S/C12H10N2O4/c13-11(17)10-7-4-2-1-3-5-8(7)14(12(10)18)6-9(15)16/h1-5H,6H2,(H2,13,17)(H,15,16)
InChIKeyUZMRTZFXLDUDBY-UHFFFAOYSA-N
MW246.22 g/mol
LogP0.14
Rot. Bonds3

About 2-(3-carbamoyl-2-oxocyclohepta[b]pyrrol-1-yl)acetic acid

2-(3-carbamoyl-2-oxocyclohepta[b]pyrrol-1-yl)acetic acid (PubChem CID 12852685) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 2-(3-carbamoyl-2-oxocyclohepta[b]pyrrol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-carbamoyl-2-oxocyclohepta[b]pyrrol-1-yl)acetic acid
PubChem CID12852685
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name2-(3-carbamoyl-2-oxocyclohepta[b]pyrrol-1-yl)acetic acid
SMILESNC(=O)c1c2cccccc-2n(CC(=O)O)c1=O
InChIInChI=1S/C12H10N2O4/c13-11(17)10-7-4-2-1-3-5-8(7)14(12(10)18)6-9(15)16/h1-5H,6H2,(H2,13,17)(H,15,16)
InChIKeyUZMRTZFXLDUDBY-UHFFFAOYSA-N
XLogP0.14
TPSA102.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-carbamoyl-2-oxocyclohepta[b]pyrrol-1-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbamoyl-2-oxocyclohepta[b]pyrrol-1-yl)acetic acid?
The IUPAC name of 2-(3-carbamoyl-2-oxocyclohepta[b]pyrrol-1-yl)acetic acid (CID 12852685) is 2-(3-carbamoyl-2-oxocyclohepta[b]pyrrol-1-yl)acetic acid.
What is the SMILES notation for 2-(3-carbamoyl-2-oxocyclohepta[b]pyrrol-1-yl)acetic acid?
The canonical SMILES for 2-(3-carbamoyl-2-oxocyclohepta[b]pyrrol-1-yl)acetic acid is NC(=O)c1c2cccccc-2n(CC(=O)O)c1=O.
What is the InChIKey of 2-(3-carbamoyl-2-oxocyclohepta[b]pyrrol-1-yl)acetic acid?
The InChIKey is UZMRTZFXLDUDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c13-11(17)10-7-4-2-1-3-5-8(7)14(12(10)18)6-9(15)16/h1-5H,6H2,(H2,13,17)(H,15,16).
What are the key properties of 2-(3-carbamoyl-2-oxocyclohepta[b]pyrrol-1-yl)acetic acid?
2-(3-carbamoyl-2-oxocyclohepta[b]pyrrol-1-yl)acetic acid has a molecular weight of 246.22 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbamoyl-2-oxocyclohepta[b]pyrrol-1-yl)acetic acid is sourced from PubChem (CID 12852685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).