2-cyclopropyl-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid

C9H12N2O4S — CID 62695399

IUPAC2-cyclopropyl-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid
SMILESO=C(O)C(NS(=O)(=O)c1cc[nH]c1)C1CC1
InChIInChI=1S/C9H12N2O4S/c12-9(13)8(6-1-2-6)11-16(14,15)7-3-4-10-5-7/h3-6,8,10-11H,1-2H2,(H,12,13)
InChIKeyOLKCJOSLDFAAQK-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.16
Rot. Bonds5

About 2-cyclopropyl-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid

2-cyclopropyl-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid (PubChem CID 62695399) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-cyclopropyl-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid
PubChem CID62695399
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name2-cyclopropyl-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid
SMILESO=C(O)C(NS(=O)(=O)c1cc[nH]c1)C1CC1
InChIInChI=1S/C9H12N2O4S/c12-9(13)8(6-1-2-6)11-16(14,15)7-3-4-10-5-7/h3-6,8,10-11H,1-2H2,(H,12,13)
InChIKeyOLKCJOSLDFAAQK-UHFFFAOYSA-N
XLogP0.16
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-2-(1H-pyrrol-3-ylsulfonylamino)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

Related Compounds

2-[(4-acetylphenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62695392
3-hydroxy-2-(1H-pyrrol-3-ylsulfonylamino)butanoic acid
CID 43294291
2-(benzenesulfonamido)-2-cyclohexylacetic acid
CID 61015306
2-[(4-acetamidophenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62694827
2-cyclopropyl-2-[(3-methoxyphenyl)sulfonylamino]acetic acid
CID 81258396
2-cyclopropyl-2-[(4-methyl-3-nitrophenyl)sulfonylamino]acetic acid
CID 62695957
2-[(5-chloro-2-methylphenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62695961
2-cyclopropyl-2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetic acid
CID 119213497
(2R)-2-(2-chlorophenyl)-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid
CID 107314959
2-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62695010
2-cyclopropyl-2-[(5-fluoro-2-methylphenyl)sulfonylamino]acetic acid
CID 62695582
2-cyclopropyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetic acid
CID 62696168

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid (CID 62695399) is 2-cyclopropyl-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid is O=C(O)C(NS(=O)(=O)c1cc[nH]c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid?
The InChIKey is OLKCJOSLDFAAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c12-9(13)8(6-1-2-6)11-16(14,15)7-3-4-10-5-7/h3-6,8,10-11H,1-2H2,(H,12,13).
What are the key properties of 2-cyclopropyl-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid?
2-cyclopropyl-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid has a molecular weight of 244.27 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid is sourced from PubChem (CID 62695399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).