1-(2-propan-2-ylsulfonylethylamino)cyclopropane-1-carboxylic acid

C9H17NO4S — CID 106727583

IUPAC1-(2-propan-2-ylsulfonylethylamino)cyclopropane-1-carboxylic acid
SMILESCC(C)S(=O)(=O)CCNC1(C(=O)O)CC1
InChIInChI=1S/C9H17NO4S/c1-7(2)15(13,14)6-5-10-9(3-4-9)8(11)12/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyDSGCMDLLHGAFRY-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.02
Rot. Bonds6

About 1-(2-propan-2-ylsulfonylethylamino)cyclopropane-1-carboxylic acid

1-(2-propan-2-ylsulfonylethylamino)cyclopropane-1-carboxylic acid (PubChem CID 106727583) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-(2-propan-2-ylsulfonylethylamino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-propan-2-ylsulfonylethylamino)cyclopropane-1-carboxylic acid
PubChem CID106727583
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name1-(2-propan-2-ylsulfonylethylamino)cyclopropane-1-carboxylic acid
SMILESCC(C)S(=O)(=O)CCNC1(C(=O)O)CC1
InChIInChI=1S/C9H17NO4S/c1-7(2)15(13,14)6-5-10-9(3-4-9)8(11)12/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyDSGCMDLLHGAFRY-UHFFFAOYSA-N
XLogP0.02
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylsulfonylethylamino)cyclopentane-1-carboxylic acid
CID 114992122
1-methyl-N-(2-propan-2-ylsulfonylethyl)cyclobutan-1-amine
CID 106724457
1-(2-propan-2-ylsulfonylethyl)cyclobutane-1-carboxylic acid
CID 106727828
1-(2-propan-2-ylsulfonylethyl)cyclohexane-1-carboxylic acid
CID 106727790
1-(2-propan-2-ylsulfonylethyl)cycloheptane-1-carboxylic acid
CID 106734099
1-propan-2-yl-4-(propylamino)piperidine-4-carboxylic acid
CID 43754005
1-[3-(dimethylamino)propylamino]cyclopropane-1-carboxylic acid
CID 114525928
1-(propylamino)cycloheptane-1-carboxylic acid
CID 43754029
2-ethyl-2-(2-propan-2-ylsulfonylethylamino)butanoic acid
CID 106727638
1-(ethylsulfonylamino)cyclopropane-1-carboxylic acid
CID 61355189
1-(propan-2-ylsulfamoylamino)cyclopropane-1-carboxylic acid
CID 114806428
1-(2-methylpentylamino)cyclobutane-1-carboxylic acid
CID 81167550

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylsulfonylethylamino)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-propan-2-ylsulfonylethylamino)cyclopropane-1-carboxylic acid (CID 106727583) is 1-(2-propan-2-ylsulfonylethylamino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-propan-2-ylsulfonylethylamino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-propan-2-ylsulfonylethylamino)cyclopropane-1-carboxylic acid is CC(C)S(=O)(=O)CCNC1(C(=O)O)CC1.
What is the InChIKey of 1-(2-propan-2-ylsulfonylethylamino)cyclopropane-1-carboxylic acid?
The InChIKey is DSGCMDLLHGAFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-7(2)15(13,14)6-5-10-9(3-4-9)8(11)12/h7,10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 1-(2-propan-2-ylsulfonylethylamino)cyclopropane-1-carboxylic acid?
1-(2-propan-2-ylsulfonylethylamino)cyclopropane-1-carboxylic acid has a molecular weight of 235.30 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylsulfonylethylamino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 106727583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).