2-hydroxy-2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)propanoic acid

C9H19NO6S — CID 79594626

IUPAC2-hydroxy-2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)propanoic acid
SMILESCC(C)OCCS(=O)(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C9H19NO6S/c1-7(2)16-4-5-17(14,15)10-6-9(3,13)8(11)12/h7,10,13H,4-6H2,1-3H3,(H,11,12)
InChIKeyVFLRFLNZPSFESH-UHFFFAOYSA-N
MW269.32 g/mol
LogP-0.83
Rot. Bonds8

About 2-hydroxy-2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)propanoic acid

2-hydroxy-2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)propanoic acid (PubChem CID 79594626) has the molecular formula C9H19NO6S and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)propanoic acid
PubChem CID79594626
Molecular FormulaC9H19NO6S
Molecular Weight269.32 g/mol
Exact Mass269.09
IUPAC Name2-hydroxy-2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)propanoic acid
SMILESCC(C)OCCS(=O)(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C9H19NO6S/c1-7(2)16-4-5-17(14,15)10-6-9(3,13)8(11)12/h7,10,13H,4-6H2,1-3H3,(H,11,12)
InChIKeyVFLRFLNZPSFESH-UHFFFAOYSA-N
XLogP-0.83
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-2-propan-2-yloxyethanesulfonamide
CID 79593878
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-propan-2-yloxyethanesulfonamide
CID 71911079
3,3,3-trifluoro-2-methyl-2-(2-propan-2-yloxyethylsulfonylamino)propanoic acid
CID 79792891
N-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-yloxyethanesulfonamide
CID 104858720
2,2,3-trimethyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid
CID 79594884
4-(2-propan-2-yloxyethylsulfonylamino)butanoic acid
CID 79593674
5-(2-propan-2-yloxyethylsulfonylamino)pentanoic acid
CID 79594453
N'-hydroxy-2,2-dimethyl-3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide
CID 104873870
2-methyl-5-(2-propan-2-yloxyethylsulfonylamino)pentanoic acid
CID 104683008
3-methyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid
CID 79594198
N-[(2S)-2-hydroxypropyl]-2-propan-2-yloxyethanesulfonamide
CID 83029580
3-(2-ethylbutylsulfonylamino)-2-hydroxy-2-methylpropanoic acid
CID 122071429

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)propanoic acid (CID 79594626) is 2-hydroxy-2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)propanoic acid is CC(C)OCCS(=O)(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)propanoic acid?
The InChIKey is VFLRFLNZPSFESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO6S/c1-7(2)16-4-5-17(14,15)10-6-9(3,13)8(11)12/h7,10,13H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 2-hydroxy-2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)propanoic acid?
2-hydroxy-2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)propanoic acid has a molecular weight of 269.32 g/mol, XLogP of -0.83, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)propanoic acid is sourced from PubChem (CID 79594626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).