(2R)-2-amino-3-(propan-2-ylsulfamoyl)propanoic acid

C6H14N2O4S — CID 89124021

IUPAC(2R)-2-amino-3-(propan-2-ylsulfamoyl)propanoic acid
SMILESCC(C)NS(=O)(=O)C[C@H](N)C(=O)O
InChIInChI=1S/C6H14N2O4S/c1-4(2)8-13(11,12)3-5(7)6(9)10/h4-5,8H,3,7H2,1-2H3,(H,9,10)/t5-/m0/s1
InChIKeyXSTVFWIRGOFHGI-YFKPBYRVSA-N
MW210.25 g/mol
LogP-1.27
Rot. Bonds5

About (2R)-2-amino-3-(propan-2-ylsulfamoyl)propanoic acid

(2R)-2-amino-3-(propan-2-ylsulfamoyl)propanoic acid (PubChem CID 89124021) has the molecular formula C6H14N2O4S and a molecular weight of 210.25 g/mol. Its IUPAC name is (2R)-2-amino-3-(propan-2-ylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(propan-2-ylsulfamoyl)propanoic acid
PubChem CID89124021
Molecular FormulaC6H14N2O4S
Molecular Weight210.25 g/mol
Exact Mass210.07
IUPAC Name(2R)-2-amino-3-(propan-2-ylsulfamoyl)propanoic acid
SMILESCC(C)NS(=O)(=O)C[C@H](N)C(=O)O
InChIInChI=1S/C6H14N2O4S/c1-4(2)8-13(11,12)3-5(7)6(9)10/h4-5,8H,3,7H2,1-2H3,(H,9,10)/t5-/m0/s1
InChIKeyXSTVFWIRGOFHGI-YFKPBYRVSA-N
XLogP-1.27
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(2-hydroxyethylsulfamoyl)propanoic acid
CID 89124334
2-amino-3-methylsulfonylpropanoic acid;hydrochloride
CID 138111044
(2R)-2-amino-3-(phosphonomethylsulfamoyl)propanoic acid
CID 87434750
(2R)-2-(2-methylpropylsulfonylamino)propanoic acid
CID 78995773
calcium;(2S)-2-amino-3-sulfopropanoic acid;hydride
CID 173179874
methyl 3-(propan-2-ylsulfamoyl)propanoate
CID 64590435
2-aminobutanedioic acid;methanesulfonic acid
CID 87903305
2-amino-3-(carboxymethylsulfonyl)propanoic acid
CID 4309092
2-amino-N-[2-(propan-2-ylsulfamoyl)ethyl]pentanamide
CID 119309225
(2R)-2-amino-3-pyrrolidin-1-ylsulfonylpropanoic acid
CID 70945668
2-amino-3-sulfopropanoic acid;butanedioic acid
CID 174432635
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(propan-2-ylsulfamoyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(propan-2-ylsulfamoyl)propanoic acid (CID 89124021) is (2R)-2-amino-3-(propan-2-ylsulfamoyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(propan-2-ylsulfamoyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(propan-2-ylsulfamoyl)propanoic acid is CC(C)NS(=O)(=O)C[C@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(propan-2-ylsulfamoyl)propanoic acid?
The InChIKey is XSTVFWIRGOFHGI-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H14N2O4S/c1-4(2)8-13(11,12)3-5(7)6(9)10/h4-5,8H,3,7H2,1-2H3,(H,9,10)/t5-/m0/s1.
What are the key properties of (2R)-2-amino-3-(propan-2-ylsulfamoyl)propanoic acid?
(2R)-2-amino-3-(propan-2-ylsulfamoyl)propanoic acid has a molecular weight of 210.25 g/mol, XLogP of -1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(propan-2-ylsulfamoyl)propanoic acid is sourced from PubChem (CID 89124021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).