(2R)-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid

C8H15NO5S — CID 78927442

IUPAC(2R)-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid
SMILESC[C@@H](NS(=O)(=O)CC1CCCO1)C(=O)O
InChIInChI=1S/C8H15NO5S/c1-6(8(10)11)9-15(12,13)5-7-3-2-4-14-7/h6-7,9H,2-5H2,1H3,(H,10,11)/t6-,7?/m1/s1
InChIKeyKVNJLGXBNURELN-ULUSZKPHSA-N
MW237.28 g/mol
LogP-0.44
Rot. Bonds5

About (2R)-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid

(2R)-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid (PubChem CID 78927442) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is (2R)-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid
PubChem CID78927442
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Name(2R)-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid
SMILESC[C@@H](NS(=O)(=O)CC1CCCO1)C(=O)O
InChIInChI=1S/C8H15NO5S/c1-6(8(10)11)9-15(12,13)5-7-3-2-4-14-7/h6-7,9H,2-5H2,1H3,(H,10,11)/t6-,7?/m1/s1
InChIKeyKVNJLGXBNURELN-ULUSZKPHSA-N
XLogP-0.44
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-oxobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 64994230
(2R)-3-methyl-2-(oxolan-2-ylmethylsulfonylamino)butanoic acid
CID 79011082
3-methoxy-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid
CID 81076359
4-amino-4-oxo-2-(oxolan-2-ylmethylsulfonylamino)butanoic acid
CID 63246428
(2R)-2-(oxolan-2-ylmethylsulfonylamino)-2-phenylacetic acid
CID 63247069
N-(4-aminobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246921
3-(oxolan-2-ylmethylsulfonylamino)butanethioamide
CID 63246950
2-methyl-3-(oxolan-2-ylmethylsulfonyl)butanoic acid
CID 106493648
3-cyclobutyl-2-(oxan-2-ylmethylsulfonylamino)propanoic acid
CID 146127666
2-(oxolan-2-ylmethylsulfonylamino)acetic acid
CID 63246701
1-[(2S)-oxolan-2-yl]-N-[(2R)-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 99827262
N-(1-hydroxy-3-phenylpropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 63261000

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid?
The IUPAC name of (2R)-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid (CID 78927442) is (2R)-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid?
The canonical SMILES for (2R)-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid is C[C@@H](NS(=O)(=O)CC1CCCO1)C(=O)O.
What is the InChIKey of (2R)-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid?
The InChIKey is KVNJLGXBNURELN-ULUSZKPHSA-N. The full InChI is InChI=1S/C8H15NO5S/c1-6(8(10)11)9-15(12,13)5-7-3-2-4-14-7/h6-7,9H,2-5H2,1H3,(H,10,11)/t6-,7?/m1/s1.
What are the key properties of (2R)-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid?
(2R)-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid has a molecular weight of 237.28 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid is sourced from PubChem (CID 78927442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).