2-[1,2-dihydroacenaphthylen-5-yl(methylsulfonyl)amino]acetic acid

C15H15NO4S — CID 112758068

IUPAC2-[1,2-dihydroacenaphthylen-5-yl(methylsulfonyl)amino]acetic acid
SMILESCS(=O)(=O)N(CC(=O)O)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C15H15NO4S/c1-21(19,20)16(9-14(17)18)13-8-7-11-6-5-10-3-2-4-12(13)15(10)11/h2-4,7-8H,5-6,9H2,1H3,(H,17,18)
InChIKeyOAUYXEBLHKBXCW-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.79
Rot. Bonds4

About 2-[1,2-dihydroacenaphthylen-5-yl(methylsulfonyl)amino]acetic acid

2-[1,2-dihydroacenaphthylen-5-yl(methylsulfonyl)amino]acetic acid (PubChem CID 112758068) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-[1,2-dihydroacenaphthylen-5-yl(methylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1,2-dihydroacenaphthylen-5-yl(methylsulfonyl)amino]acetic acid
PubChem CID112758068
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name2-[1,2-dihydroacenaphthylen-5-yl(methylsulfonyl)amino]acetic acid
SMILESCS(=O)(=O)N(CC(=O)O)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C15H15NO4S/c1-21(19,20)16(9-14(17)18)13-8-7-11-6-5-10-3-2-4-12(13)15(10)11/h2-4,7-8H,5-6,9H2,1H3,(H,17,18)
InChIKeyOAUYXEBLHKBXCW-UHFFFAOYSA-N
XLogP1.79
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1,2-dihydroacenaphthylen-5-yl(methylsulfonyl)amino]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-[1,2-dihydroacenaphthylen-5-yl(methylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[1,2-dihydroacenaphthylen-5-yl(methylsulfonyl)amino]acetic acid (CID 112758068) is 2-[1,2-dihydroacenaphthylen-5-yl(methylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[1,2-dihydroacenaphthylen-5-yl(methylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[1,2-dihydroacenaphthylen-5-yl(methylsulfonyl)amino]acetic acid is CS(=O)(=O)N(CC(=O)O)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of 2-[1,2-dihydroacenaphthylen-5-yl(methylsulfonyl)amino]acetic acid?
The InChIKey is OAUYXEBLHKBXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-21(19,20)16(9-14(17)18)13-8-7-11-6-5-10-3-2-4-12(13)15(10)11/h2-4,7-8H,5-6,9H2,1H3,(H,17,18).
What are the key properties of 2-[1,2-dihydroacenaphthylen-5-yl(methylsulfonyl)amino]acetic acid?
2-[1,2-dihydroacenaphthylen-5-yl(methylsulfonyl)amino]acetic acid has a molecular weight of 305.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2-dihydroacenaphthylen-5-yl(methylsulfonyl)amino]acetic acid is sourced from PubChem (CID 112758068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).