(2R)-2-(dipropylsulfamoylamino)-3,3-dimethylbutanoic acid

C12H26N2O4S — CID 113353089

IUPAC(2R)-2-(dipropylsulfamoylamino)-3,3-dimethylbutanoic acid
SMILESCCCN(CCC)S(=O)(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C12H26N2O4S/c1-6-8-14(9-7-2)19(17,18)13-10(11(15)16)12(3,4)5/h10,13H,6-9H2,1-5H3,(H,15,16)/t10-/m0/s1
InChIKeyYDQFCCLLUPEZOZ-JTQLQIEISA-N
MW294.42 g/mol
LogP1.44
Rot. Bonds8

About (2R)-2-(dipropylsulfamoylamino)-3,3-dimethylbutanoic acid

(2R)-2-(dipropylsulfamoylamino)-3,3-dimethylbutanoic acid (PubChem CID 113353089) has the molecular formula C12H26N2O4S and a molecular weight of 294.42 g/mol. Its IUPAC name is (2R)-2-(dipropylsulfamoylamino)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-(dipropylsulfamoylamino)-3,3-dimethylbutanoic acid
PubChem CID113353089
Molecular FormulaC12H26N2O4S
Molecular Weight294.42 g/mol
Exact Mass294.16
IUPAC Name(2R)-2-(dipropylsulfamoylamino)-3,3-dimethylbutanoic acid
SMILESCCCN(CCC)S(=O)(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C12H26N2O4S/c1-6-8-14(9-7-2)19(17,18)13-10(11(15)16)12(3,4)5/h10,13H,6-9H2,1-5H3,(H,15,16)/t10-/m0/s1
InChIKeyYDQFCCLLUPEZOZ-JTQLQIEISA-N
XLogP1.44
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dipropylsulfamoylamino)butanoic acid
CID 43470036
2-(ethylsulfonylamino)-3,3-dimethylbutanoic acid
CID 43468064
1-[propan-2-ylsulfamoyl(propyl)amino]propane
CID 60750604
2-(dipropylsulfamoylamino)-4-methoxybutanoic acid
CID 62479156
dipropylsulfamoylcarbamic acid
CID 141168649
(2S)-3,3-dimethyl-2-[[methyl(propyl)carbamoyl]amino]butanoic acid
CID 61196070
(2S)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 61459403
3,3-dimethyl-2-(propylamino)butanoic acid
CID 61326415
(2S)-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 61425891
6-(dipropylsulfamoylamino)-4,4-dimethylhexanoic acid
CID 65285119
(2R)-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 103927053
2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 54951162

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dipropylsulfamoylamino)-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-(dipropylsulfamoylamino)-3,3-dimethylbutanoic acid (CID 113353089) is (2R)-2-(dipropylsulfamoylamino)-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-(dipropylsulfamoylamino)-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-(dipropylsulfamoylamino)-3,3-dimethylbutanoic acid is CCCN(CCC)S(=O)(=O)N[C@@H](C(=O)O)C(C)(C)C.
What is the InChIKey of (2R)-2-(dipropylsulfamoylamino)-3,3-dimethylbutanoic acid?
The InChIKey is YDQFCCLLUPEZOZ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H26N2O4S/c1-6-8-14(9-7-2)19(17,18)13-10(11(15)16)12(3,4)5/h10,13H,6-9H2,1-5H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2R)-2-(dipropylsulfamoylamino)-3,3-dimethylbutanoic acid?
(2R)-2-(dipropylsulfamoylamino)-3,3-dimethylbutanoic acid has a molecular weight of 294.42 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dipropylsulfamoylamino)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 113353089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).