2-[cyclopropyl-(3-methoxy-3-oxopropyl)sulfonylamino]acetic acid

C9H15NO6S — CID 54983488

IUPAC2-[cyclopropyl-(3-methoxy-3-oxopropyl)sulfonylamino]acetic acid
SMILESCOC(=O)CCS(=O)(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C9H15NO6S/c1-16-9(13)4-5-17(14,15)10(6-8(11)12)7-2-3-7/h7H,2-6H2,1H3,(H,11,12)
InChIKeyBOXOEMWTMBGBHZ-UHFFFAOYSA-N
MW265.29 g/mol
LogP-0.57
Rot. Bonds7

About 2-[cyclopropyl-(3-methoxy-3-oxopropyl)sulfonylamino]acetic acid

2-[cyclopropyl-(3-methoxy-3-oxopropyl)sulfonylamino]acetic acid (PubChem CID 54983488) has the molecular formula C9H15NO6S and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-[cyclopropyl-(3-methoxy-3-oxopropyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(3-methoxy-3-oxopropyl)sulfonylamino]acetic acid
PubChem CID54983488
Molecular FormulaC9H15NO6S
Molecular Weight265.29 g/mol
Exact Mass265.06
IUPAC Name2-[cyclopropyl-(3-methoxy-3-oxopropyl)sulfonylamino]acetic acid
SMILESCOC(=O)CCS(=O)(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C9H15NO6S/c1-16-9(13)4-5-17(14,15)10(6-8(11)12)7-2-3-7/h7H,2-6H2,1H3,(H,11,12)
InChIKeyBOXOEMWTMBGBHZ-UHFFFAOYSA-N
XLogP-0.57
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[cyclopropyl-(3-methoxy-3-oxopropyl)sulfonylamino]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

methyl 3-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoate
CID 79717402
3-[cyclopropyl-(2-methoxy-2-oxoethyl)sulfonylamino]propanoic acid
CID 61359922
methyl 4-[cyclopentyl(ethyl)sulfamoyl]butanoate
CID 54951967
3-[cyclopropyl(propyl)sulfamoyl]propanoic acid
CID 43270296
2-[cyclohexyl(ethylsulfonyl)amino]acetic acid
CID 50849243
3-[cyclopropyl(3-methylbutylsulfonyl)amino]propanoic acid
CID 63857314
3-[cyclopropyl(3-methylbutyl)sulfamoyl]propanoic acid
CID 60951410
4-[(3-methoxy-3-oxopropyl)sulfonyl-propan-2-ylamino]butanoic acid
CID 61458516
methyl 2-[cyclopentyl(2-methylpropylsulfonyl)amino]acetate
CID 80707967
ethyl 2-[cyclopropyl(2-hydroxyethylsulfonyl)amino]acetate
CID 79589738
2-[cyclopentyl(methylsulfamoyl)amino]acetic acid
CID 114805551
methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]propanoate
CID 62334087

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(3-methoxy-3-oxopropyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(3-methoxy-3-oxopropyl)sulfonylamino]acetic acid (CID 54983488) is 2-[cyclopropyl-(3-methoxy-3-oxopropyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(3-methoxy-3-oxopropyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(3-methoxy-3-oxopropyl)sulfonylamino]acetic acid is COC(=O)CCS(=O)(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-(3-methoxy-3-oxopropyl)sulfonylamino]acetic acid?
The InChIKey is BOXOEMWTMBGBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO6S/c1-16-9(13)4-5-17(14,15)10(6-8(11)12)7-2-3-7/h7H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-[cyclopropyl-(3-methoxy-3-oxopropyl)sulfonylamino]acetic acid?
2-[cyclopropyl-(3-methoxy-3-oxopropyl)sulfonylamino]acetic acid has a molecular weight of 265.29 g/mol, XLogP of -0.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(3-methoxy-3-oxopropyl)sulfonylamino]acetic acid is sourced from PubChem (CID 54983488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).