2-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinyl-2-methylpropanoic acid

C10H17NO4S — CID 81229082

IUPAC2-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinyl-2-methylpropanoic acid
SMILESCN(C(=O)CS(=O)C(C)(C)C(=O)O)C1CC1
InChIInChI=1S/C10H17NO4S/c1-10(2,9(13)14)16(15)6-8(12)11(3)7-4-5-7/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeyROUHBNWYCAENOC-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.22
Rot. Bonds5

About 2-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinyl-2-methylpropanoic acid

2-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinyl-2-methylpropanoic acid (PubChem CID 81229082) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinyl-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinyl-2-methylpropanoic acid
PubChem CID81229082
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name2-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinyl-2-methylpropanoic acid
SMILESCN(C(=O)CS(=O)C(C)(C)C(=O)O)C1CC1
InChIInChI=1S/C10H17NO4S/c1-10(2,9(13)14)16(15)6-8(12)11(3)7-4-5-7/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeyROUHBNWYCAENOC-UHFFFAOYSA-N
XLogP0.22
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinyl-2-methylpropanoic 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-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinylbutanoic acid
CID 105355585
2-[1-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid
CID 65442354
4-[cyclopropyl(methyl)amino]-4-oxobutanoic acid
CID 43264711
2-[tert-butyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
CID 79269392
2,2-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
CID 65297852
N-(4-tert-butylcyclohexyl)-N-methyl-2-methylsulfonylacetamide
CID 136578705
4-[methyl(propanoyl)amino]cyclohexane-1-carboxylic acid
CID 115270020
2-[azetidin-3-yl(methyl)amino]-2-oxoethanesulfinic acid
CID 84664064
2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 61489399
2-(2-amino-4-bromophenyl)sulfinyl-N-cyclopropyl-N-methylacetamide
CID 81184912
N,3,3-trimethyl-N-[4-(methylamino)cyclohexyl]butanamide
CID 79122316
2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethanesulfinic acid
CID 84674319

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinyl-2-methylpropanoic acid?
The IUPAC name of 2-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinyl-2-methylpropanoic acid (CID 81229082) is 2-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinyl-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinyl-2-methylpropanoic acid?
The canonical SMILES for 2-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinyl-2-methylpropanoic acid is CN(C(=O)CS(=O)C(C)(C)C(=O)O)C1CC1.
What is the InChIKey of 2-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinyl-2-methylpropanoic acid?
The InChIKey is ROUHBNWYCAENOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c1-10(2,9(13)14)16(15)6-8(12)11(3)7-4-5-7/h7H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 2-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinyl-2-methylpropanoic acid?
2-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinyl-2-methylpropanoic acid has a molecular weight of 247.32 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinyl-2-methylpropanoic acid is sourced from PubChem (CID 81229082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).