methyl (2R)-2-(butylsulfonylamino)-3-hydroxypropanoate

C8H17NO5S — CID 93038199

IUPACmethyl (2R)-2-(butylsulfonylamino)-3-hydroxypropanoate
SMILESCCCCS(=O)(=O)N[C@H](CO)C(=O)OC
InChIInChI=1S/C8H17NO5S/c1-3-4-5-15(12,13)9-7(6-10)8(11)14-2/h7,9-10H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyUVCGVROIHSQZGO-SSDOTTSWSA-N
MW239.29 g/mol
LogP-0.76
Rot. Bonds7

About methyl (2R)-2-(butylsulfonylamino)-3-hydroxypropanoate

methyl (2R)-2-(butylsulfonylamino)-3-hydroxypropanoate (PubChem CID 93038199) has the molecular formula C8H17NO5S and a molecular weight of 239.29 g/mol. Its IUPAC name is methyl (2R)-2-(butylsulfonylamino)-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(butylsulfonylamino)-3-hydroxypropanoate
PubChem CID93038199
Molecular FormulaC8H17NO5S
Molecular Weight239.29 g/mol
Exact Mass239.08
IUPAC Namemethyl (2R)-2-(butylsulfonylamino)-3-hydroxypropanoate
SMILESCCCCS(=O)(=O)N[C@H](CO)C(=O)OC
InChIInChI=1S/C8H17NO5S/c1-3-4-5-15(12,13)9-7(6-10)8(11)14-2/h7,9-10H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyUVCGVROIHSQZGO-SSDOTTSWSA-N
XLogP-0.76
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-amino-2-(butylsulfonylamino)propanoate
CID 19066399
methyl (2S)-3-amino-2-(butylsulfonylamino)propanoate
CID 10752421
methyl 4-amino-2-(butylsulfonylamino)-4-oxobutanoate
CID 57264871
methyl (2S)-4-amino-2-(butylsulfonylamino)butanoate;hydrochloride
CID 22859106
(2R)-2-(butylsulfonylamino)butanoic acid
CID 42255264
N-(1-hydroxypropan-2-yl)butane-1-sulfonamide
CID 43502189
(2S)-2-(butylsulfonylamino)pentanoic acid
CID 93252473
methyl 2-(butylsulfonylamino)-3-[4-(2-hydroxyethylamino)phenyl]propanoate
CID 70075548
methyl 2-(diethylsulfamoylamino)-3-hydroxypropanoate
CID 43624339
methyl 2-(butoxycarbonylamino)-3-hydroxypropanoate
CID 87374830
methyl (2S)-3-[4-(6-aminohexoxy)phenyl]-2-(butylsulfonylamino)propanoate
CID 10070417
[4-(decylsulfonylamino)-1-hydroxy-3-oxodecan-2-yl]-trihydroxyphosphanium
CID 57226090

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(butylsulfonylamino)-3-hydroxypropanoate?
The IUPAC name of methyl (2R)-2-(butylsulfonylamino)-3-hydroxypropanoate (CID 93038199) is methyl (2R)-2-(butylsulfonylamino)-3-hydroxypropanoate.
What is the SMILES notation for methyl (2R)-2-(butylsulfonylamino)-3-hydroxypropanoate?
The canonical SMILES for methyl (2R)-2-(butylsulfonylamino)-3-hydroxypropanoate is CCCCS(=O)(=O)N[C@H](CO)C(=O)OC.
What is the InChIKey of methyl (2R)-2-(butylsulfonylamino)-3-hydroxypropanoate?
The InChIKey is UVCGVROIHSQZGO-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17NO5S/c1-3-4-5-15(12,13)9-7(6-10)8(11)14-2/h7,9-10H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of methyl (2R)-2-(butylsulfonylamino)-3-hydroxypropanoate?
methyl (2R)-2-(butylsulfonylamino)-3-hydroxypropanoate has a molecular weight of 239.29 g/mol, XLogP of -0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(butylsulfonylamino)-3-hydroxypropanoate is sourced from PubChem (CID 93038199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).