2-cyclopropyl-2-(3,3-dimethylbutylsulfonylamino)acetic acid

C11H21NO4S — CID 104936044

IUPAC2-cyclopropyl-2-(3,3-dimethylbutylsulfonylamino)acetic acid
SMILESCC(C)(C)CCS(=O)(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C11H21NO4S/c1-11(2,3)6-7-17(15,16)12-9(10(13)14)8-4-5-8/h8-9,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyQBFMXCVJSSNXOW-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.21
Rot. Bonds6

About 2-cyclopropyl-2-(3,3-dimethylbutylsulfonylamino)acetic acid

2-cyclopropyl-2-(3,3-dimethylbutylsulfonylamino)acetic acid (PubChem CID 104936044) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-(3,3-dimethylbutylsulfonylamino)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(3,3-dimethylbutylsulfonylamino)acetic acid
PubChem CID104936044
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name2-cyclopropyl-2-(3,3-dimethylbutylsulfonylamino)acetic acid
SMILESCC(C)(C)CCS(=O)(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C11H21NO4S/c1-11(2,3)6-7-17(15,16)12-9(10(13)14)8-4-5-8/h8-9,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyQBFMXCVJSSNXOW-UHFFFAOYSA-N
XLogP1.21
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-2-(2-methylsulfonylethylsulfonylamino)acetic acid
CID 63245001
2-(3,3-dimethylbutylsulfonylamino)-3-hydroxybutanoic acid
CID 104932555
(2S)-2-(3,3-dimethylbutylsulfonylamino)pentanoic acid
CID 104934822
2-cyclohexyl-2-[(2-methoxy-2-oxoethyl)sulfonylamino]acetic acid
CID 61358761
2-cyclopropyl-2-[2-(propylsulfonylamino)propanoylamino]acetic acid
CID 62697454
2-cyclohexyl-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]acetic acid
CID 61459208
2-(tert-butylsulfonylamino)-2-cyclohexylacetic acid
CID 63688223
2-cyclohexyl-2-(cyclopropylmethylsulfonylamino)acetic acid
CID 64987369
2-(3,3-dimethylbutylsulfonylamino)-5-methoxypentanoic acid
CID 104936567
2-cyclopropyl-2-[(2-methoxy-2-methylpropyl)amino]acetic acid
CID 103266053
N-(3,3-dimethylbutylsulfonyl)-2,2-diphenylacetamide
CID 86943976
3-(3,3-dimethylbutylsulfonylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 104936314

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(3,3-dimethylbutylsulfonylamino)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(3,3-dimethylbutylsulfonylamino)acetic acid (CID 104936044) is 2-cyclopropyl-2-(3,3-dimethylbutylsulfonylamino)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(3,3-dimethylbutylsulfonylamino)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(3,3-dimethylbutylsulfonylamino)acetic acid is CC(C)(C)CCS(=O)(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(3,3-dimethylbutylsulfonylamino)acetic acid?
The InChIKey is QBFMXCVJSSNXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-11(2,3)6-7-17(15,16)12-9(10(13)14)8-4-5-8/h8-9,12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-cyclopropyl-2-(3,3-dimethylbutylsulfonylamino)acetic acid?
2-cyclopropyl-2-(3,3-dimethylbutylsulfonylamino)acetic acid has a molecular weight of 263.36 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(3,3-dimethylbutylsulfonylamino)acetic acid is sourced from PubChem (CID 104936044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).