(2R)-2-(butylsulfonylamino)butanoic acid

C8H17NO4S — CID 42255264

IUPAC(2R)-2-(butylsulfonylamino)butanoic acid
SMILESCCCCS(=O)(=O)N[C@H](CC)C(=O)O
InChIInChI=1S/C8H17NO4S/c1-3-5-6-14(12,13)9-7(4-2)8(10)11/h7,9H,3-6H2,1-2H3,(H,10,11)/t7-/m1/s1
InChIKeyKPLRWZSPHCXRTI-SSDOTTSWSA-N
MW223.29 g/mol
LogP0.57
Rot. Bonds7

About (2R)-2-(butylsulfonylamino)butanoic acid

(2R)-2-(butylsulfonylamino)butanoic acid (PubChem CID 42255264) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is (2R)-2-(butylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-2-(butylsulfonylamino)butanoic acid
PubChem CID42255264
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name(2R)-2-(butylsulfonylamino)butanoic acid
SMILESCCCCS(=O)(=O)N[C@H](CC)C(=O)O
InChIInChI=1S/C8H17NO4S/c1-3-5-6-14(12,13)9-7(4-2)8(10)11/h7,9H,3-6H2,1-2H3,(H,10,11)/t7-/m1/s1
InChIKeyKPLRWZSPHCXRTI-SSDOTTSWSA-N
XLogP0.57
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(butylsulfonylamino)pentanoic acid
CID 93252473
2-[(4-methoxy-4-oxobutyl)sulfonylamino]butanoic acid
CID 54952165
methyl (2R)-2-(butylsulfonylamino)-3-hydroxypropanoate
CID 93038199
methyl 3-amino-2-(butylsulfonylamino)propanoate
CID 19066399
methyl (2S)-3-amino-2-(butylsulfonylamino)propanoate
CID 10752421
(2S)-2-(butylsulfonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 18654134
2-(butylsulfonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 10520024
(2S)-6-amino-2-(dodecylsulfonylamino)hexanoic acid
CID 22878838
(2S)-4-methyl-2-(propylsulfonylamino)pentanoic acid
CID 42256033
2-(butylsulfonylamino)-2-phenylacetic acid
CID 16775375
(2S)-2-(3,3,3-trifluoropropylsulfonylamino)hexanoic acid
CID 122070574
methyl 4-amino-2-(butylsulfonylamino)-4-oxobutanoate
CID 57264871

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(butylsulfonylamino)butanoic acid?
The IUPAC name of (2R)-2-(butylsulfonylamino)butanoic acid (CID 42255264) is (2R)-2-(butylsulfonylamino)butanoic acid.
What is the SMILES notation for (2R)-2-(butylsulfonylamino)butanoic acid?
The canonical SMILES for (2R)-2-(butylsulfonylamino)butanoic acid is CCCCS(=O)(=O)N[C@H](CC)C(=O)O.
What is the InChIKey of (2R)-2-(butylsulfonylamino)butanoic acid?
The InChIKey is KPLRWZSPHCXRTI-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-3-5-6-14(12,13)9-7(4-2)8(10)11/h7,9H,3-6H2,1-2H3,(H,10,11)/t7-/m1/s1.
What are the key properties of (2R)-2-(butylsulfonylamino)butanoic acid?
(2R)-2-(butylsulfonylamino)butanoic acid has a molecular weight of 223.29 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(butylsulfonylamino)butanoic acid is sourced from PubChem (CID 42255264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).