2-methyl-3-(oxan-4-ylsulfonylamino)propanoic acid

C9H17NO5S — CID 62675881

IUPAC2-methyl-3-(oxan-4-ylsulfonylamino)propanoic acid
SMILESCC(CNS(=O)(=O)C1CCOCC1)C(=O)O
InChIInChI=1S/C9H17NO5S/c1-7(9(11)12)6-10-16(13,14)8-2-4-15-5-3-8/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyLDPORXVVKRASNC-UHFFFAOYSA-N
MW251.30 g/mol
LogP-0.19
Rot. Bonds5

About 2-methyl-3-(oxan-4-ylsulfonylamino)propanoic acid

2-methyl-3-(oxan-4-ylsulfonylamino)propanoic acid (PubChem CID 62675881) has the molecular formula C9H17NO5S and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-methyl-3-(oxan-4-ylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(oxan-4-ylsulfonylamino)propanoic acid
PubChem CID62675881
Molecular FormulaC9H17NO5S
Molecular Weight251.30 g/mol
Exact Mass251.08
IUPAC Name2-methyl-3-(oxan-4-ylsulfonylamino)propanoic acid
SMILESCC(CNS(=O)(=O)C1CCOCC1)C(=O)O
InChIInChI=1S/C9H17NO5S/c1-7(9(11)12)6-10-16(13,14)8-2-4-15-5-3-8/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyLDPORXVVKRASNC-UHFFFAOYSA-N
XLogP-0.19
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxypropyl)oxane-4-sulfonamide
CID 62050306
N-[(2R)-2-hydroxypropyl]oxane-4-sulfonamide
CID 83029694
N-(2-cyanopropyl)oxane-4-sulfonamide
CID 62653493
methyl 2-bromo-3-(oxan-4-ylsulfonylamino)propanoate
CID 103493673
2,2-dimethyl-3-(oxan-4-ylsulfonylamino)propanoic acid
CID 115427404
N-(2-bromo-2-cyclopropylethyl)oxane-4-sulfonamide
CID 114294616
N-(2-amino-3-ethylpentyl)oxane-4-sulfonamide
CID 114168552
(2R)-4-hydroxy-2-(oxan-4-ylsulfonylamino)butanoic acid
CID 104933880
4-methylsulfanyl-2-(oxan-4-ylsulfonylamino)butanoic acid
CID 55031614
4-amino-2-(oxan-4-ylsulfonylamino)-4-oxobutanoic acid
CID 62049157
methyl 3-(cyclopropylsulfonylamino)-2-iodopropanoate
CID 103493669
N-(2-bromo-2-phenylethyl)oxane-4-sulfonamide
CID 113271345

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(oxan-4-ylsulfonylamino)propanoic acid?
The IUPAC name of 2-methyl-3-(oxan-4-ylsulfonylamino)propanoic acid (CID 62675881) is 2-methyl-3-(oxan-4-ylsulfonylamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-(oxan-4-ylsulfonylamino)propanoic acid?
The canonical SMILES for 2-methyl-3-(oxan-4-ylsulfonylamino)propanoic acid is CC(CNS(=O)(=O)C1CCOCC1)C(=O)O.
What is the InChIKey of 2-methyl-3-(oxan-4-ylsulfonylamino)propanoic acid?
The InChIKey is LDPORXVVKRASNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5S/c1-7(9(11)12)6-10-16(13,14)8-2-4-15-5-3-8/h7-8,10H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-methyl-3-(oxan-4-ylsulfonylamino)propanoic acid?
2-methyl-3-(oxan-4-ylsulfonylamino)propanoic acid has a molecular weight of 251.30 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(oxan-4-ylsulfonylamino)propanoic acid is sourced from PubChem (CID 62675881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).