(2R)-2-(butylsulfonylamino)propanoate

C7H14NO4S- — CID 2447741

IUPAC(2R)-2-(butylsulfonylamino)propanoate
SMILESCCCCS(=O)(=O)N[C@H](C)C(=O)[O-]
InChIInChI=1S/C7H15NO4S/c1-3-4-5-13(11,12)8-6(2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)/p-1/t6-/m1/s1
InChIKeyOZSRHFORCGVPJI-ZCFIWIBFSA-M
MW208.26 g/mol
LogP-1.16
Rot. Bonds6

About (2R)-2-(butylsulfonylamino)propanoate

(2R)-2-(butylsulfonylamino)propanoate (PubChem CID 2447741) has the molecular formula C7H14NO4S- and a molecular weight of 208.26 g/mol. Its IUPAC name is (2R)-2-(butylsulfonylamino)propanoate.

Molecular Properties

Compound Name(2R)-2-(butylsulfonylamino)propanoate
PubChem CID2447741
Molecular FormulaC7H14NO4S-
Molecular Weight208.26 g/mol
Exact Mass208.06
IUPAC Name(2R)-2-(butylsulfonylamino)propanoate
SMILESCCCCS(=O)(=O)N[C@H](C)C(=O)[O-]
InChIInChI=1S/C7H15NO4S/c1-3-4-5-13(11,12)8-6(2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)/p-1/t6-/m1/s1
InChIKeyOZSRHFORCGVPJI-ZCFIWIBFSA-M
XLogP-1.16
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxypropan-2-yl)butane-1-sulfonamide
CID 43502189
(2S)-2-(propylsulfonylamino)propanoic acid
CID 7130952
(2R)-2-(butylsulfonylamino)butanoic acid
CID 42255264
(2S)-2-(butylsulfonylamino)pentanoic acid
CID 93252473
(2S)-2-(methanesulfonamido)propanoate
CID 7446977
N-(1-bromobutan-2-yl)butane-1-sulfonamide
CID 114298429
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
N-[(1R)-1-cyclopropylethyl]butane-1-sulfonamide
CID 95761810
N-oxidobutane-1-sulfonamide
CID 141093832
tert-butyl (2R)-2-(butylsulfonylamino)-3-methylbutanoate
CID 81002609

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(butylsulfonylamino)propanoate?
The IUPAC name of (2R)-2-(butylsulfonylamino)propanoate (CID 2447741) is (2R)-2-(butylsulfonylamino)propanoate.
What is the SMILES notation for (2R)-2-(butylsulfonylamino)propanoate?
The canonical SMILES for (2R)-2-(butylsulfonylamino)propanoate is CCCCS(=O)(=O)N[C@H](C)C(=O)[O-].
What is the InChIKey of (2R)-2-(butylsulfonylamino)propanoate?
The InChIKey is OZSRHFORCGVPJI-ZCFIWIBFSA-M. The full InChI is InChI=1S/C7H15NO4S/c1-3-4-5-13(11,12)8-6(2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)/p-1/t6-/m1/s1.
What are the key properties of (2R)-2-(butylsulfonylamino)propanoate?
(2R)-2-(butylsulfonylamino)propanoate has a molecular weight of 208.26 g/mol, XLogP of -1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(butylsulfonylamino)propanoate is sourced from PubChem (CID 2447741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).