(2R)-2-(2-methylpropylsulfonylamino)propanoic acid

C7H15NO4S — CID 78995773

IUPAC(2R)-2-(2-methylpropylsulfonylamino)propanoic acid
SMILESCC(C)CS(=O)(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C7H15NO4S/c1-5(2)4-13(11,12)8-6(3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t6-/m1/s1
InChIKeyQORICVANAZWNHF-ZCFIWIBFSA-N
MW209.27 g/mol
LogP0.03
Rot. Bonds5

About (2R)-2-(2-methylpropylsulfonylamino)propanoic acid

(2R)-2-(2-methylpropylsulfonylamino)propanoic acid (PubChem CID 78995773) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is (2R)-2-(2-methylpropylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-methylpropylsulfonylamino)propanoic acid
PubChem CID78995773
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name(2R)-2-(2-methylpropylsulfonylamino)propanoic acid
SMILESCC(C)CS(=O)(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C7H15NO4S/c1-5(2)4-13(11,12)8-6(3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t6-/m1/s1
InChIKeyQORICVANAZWNHF-ZCFIWIBFSA-N
XLogP0.03
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(propylsulfonylamino)propanoic acid
CID 7130952
N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropane-1-sulfonamide
CID 79027401
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropane-1-sulfonamide
CID 79255900
2-methyl-6-(2-methylpropylsulfonylamino)heptanoic acid
CID 65285332
N-[(2R)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide
CID 103918485
N-[(2S)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide
CID 104981900
(2R)-2-[3-(oxo-λ5-phosphanylidyne)propylsulfonylamino]propanoic acid
CID 154634481
(2R)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoic acid
CID 78972767
(2R)-2-amino-3-(propan-2-ylsulfamoyl)propanoic acid
CID 89124021
2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid
CID 43361295
(2R)-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid
CID 78927442
(2S)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]propanoic acid
CID 28788047

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylpropylsulfonylamino)propanoic acid?
The IUPAC name of (2R)-2-(2-methylpropylsulfonylamino)propanoic acid (CID 78995773) is (2R)-2-(2-methylpropylsulfonylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(2-methylpropylsulfonylamino)propanoic acid?
The canonical SMILES for (2R)-2-(2-methylpropylsulfonylamino)propanoic acid is CC(C)CS(=O)(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-(2-methylpropylsulfonylamino)propanoic acid?
The InChIKey is QORICVANAZWNHF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-5(2)4-13(11,12)8-6(3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t6-/m1/s1.
What are the key properties of (2R)-2-(2-methylpropylsulfonylamino)propanoic acid?
(2R)-2-(2-methylpropylsulfonylamino)propanoic acid has a molecular weight of 209.27 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylpropylsulfonylamino)propanoic acid is sourced from PubChem (CID 78995773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).