3-[cyclopropyl(3-methylbutylsulfonyl)amino]propanoic acid

C11H21NO4S — CID 63857314

IUPAC3-[cyclopropyl(3-methylbutylsulfonyl)amino]propanoic acid
SMILESCC(C)CCS(=O)(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C11H21NO4S/c1-9(2)6-8-17(15,16)12(10-3-4-10)7-5-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyAOBRFAGEWOLMSQ-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.30
Rot. Bonds8

About 3-[cyclopropyl(3-methylbutylsulfonyl)amino]propanoic acid

3-[cyclopropyl(3-methylbutylsulfonyl)amino]propanoic acid (PubChem CID 63857314) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-[cyclopropyl(3-methylbutylsulfonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(3-methylbutylsulfonyl)amino]propanoic acid
PubChem CID63857314
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name3-[cyclopropyl(3-methylbutylsulfonyl)amino]propanoic acid
SMILESCC(C)CCS(=O)(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C11H21NO4S/c1-9(2)6-8-17(15,16)12(10-3-4-10)7-5-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyAOBRFAGEWOLMSQ-UHFFFAOYSA-N
XLogP1.30
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[cyclopropyl(3-methylbutylsulfonyl)amino]propanoic 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

3-[cyclopropyl(3-methylbutyl)sulfamoyl]propanoic acid
CID 60951410
3-[cyclopropyl(3-methylbutylsulfonyl)amino]propanethioamide
CID 63857330
N-(2-bromoethyl)-N-cyclopropyl-3-methylbutane-1-sulfonamide
CID 80667163
3-[cyclopropyl(propyl)sulfamoyl]propanoic acid
CID 43270296
2-chloro-N-cyclopropyl-N-(3-methylbutyl)ethanesulfonamide
CID 79014657
3-[cyclopropyl(3-methylbutyl)amino]propanoic acid
CID 60839527
3-[cyclopropyl-(2-methoxy-2-oxoethyl)sulfonylamino]propanoic acid
CID 61359922
3-methyl-N-piperidin-4-yl-N-propylbutane-1-sulfonamide
CID 63855512
1-chloro-N-cyclopropyl-N-(3-methylbutyl)methanesulfonamide
CID 63665355
3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid
CID 102860949
3-[cyclopropyl-[methyl(3-methylbutyl)carbamoyl]amino]propanoic acid
CID 61429269
3-[cyclopropyl(propylsulfamoyl)amino]propanoic acid
CID 114805583

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(3-methylbutylsulfonyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl(3-methylbutylsulfonyl)amino]propanoic acid (CID 63857314) is 3-[cyclopropyl(3-methylbutylsulfonyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl(3-methylbutylsulfonyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl(3-methylbutylsulfonyl)amino]propanoic acid is CC(C)CCS(=O)(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl(3-methylbutylsulfonyl)amino]propanoic acid?
The InChIKey is AOBRFAGEWOLMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-9(2)6-8-17(15,16)12(10-3-4-10)7-5-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-[cyclopropyl(3-methylbutylsulfonyl)amino]propanoic acid?
3-[cyclopropyl(3-methylbutylsulfonyl)amino]propanoic acid has a molecular weight of 263.36 g/mol, XLogP of 1.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(3-methylbutylsulfonyl)amino]propanoic acid is sourced from PubChem (CID 63857314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).