(2R)-2-[butylsulfonyl(methylcarbamoyl)amino]propanoic acid

C9H18N2O5S — CID 87782830

IUPAC(2R)-2-[butylsulfonyl(methylcarbamoyl)amino]propanoic acid
SMILESCCCCS(=O)(=O)N(C(=O)NC)[C@H](C)C(=O)O
InChIInChI=1S/C9H18N2O5S/c1-4-5-6-17(15,16)11(9(14)10-3)7(2)8(12)13/h7H,4-6H2,1-3H3,(H,10,14)(H,12,13)/t7-/m1/s1
InChIKeyUDXKGFHLDXDOCL-SSDOTTSWSA-N
MW266.32 g/mol
LogP0.23
Rot. Bonds6

About (2R)-2-[butylsulfonyl(methylcarbamoyl)amino]propanoic acid

(2R)-2-[butylsulfonyl(methylcarbamoyl)amino]propanoic acid (PubChem CID 87782830) has the molecular formula C9H18N2O5S and a molecular weight of 266.32 g/mol. Its IUPAC name is (2R)-2-[butylsulfonyl(methylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[butylsulfonyl(methylcarbamoyl)amino]propanoic acid
PubChem CID87782830
Molecular FormulaC9H18N2O5S
Molecular Weight266.32 g/mol
Exact Mass266.09
IUPAC Name(2R)-2-[butylsulfonyl(methylcarbamoyl)amino]propanoic acid
SMILESCCCCS(=O)(=O)N(C(=O)NC)[C@H](C)C(=O)O
InChIInChI=1S/C9H18N2O5S/c1-4-5-6-17(15,16)11(9(14)10-3)7(2)8(12)13/h7H,4-6H2,1-3H3,(H,10,14)(H,12,13)/t7-/m1/s1
InChIKeyUDXKGFHLDXDOCL-SSDOTTSWSA-N
XLogP0.23
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[butylsulfonyl(2-carboxyethyl)amino]-2-methylpropanoic acid
CID 82326473
3-[butylsulfonyl(3-hydroxypropyl)amino]-2-methylpropanoic acid
CID 82326460
4-[butylsulfonyl(2-carboxyethyl)amino]butanoic acid
CID 82326450
(2S)-4-(butylsulfonimidoyl)-2-(methylamino)butanoic acid
CID 170770396
(2R)-2-(butylsulfonylamino)butanoic acid
CID 42255264
(2S)-2-(didecylamino)propanoic acid
CID 54553800
2-[di(undecyl)amino]propanoic acid
CID 101313686
3-(methylcarbamoyl)pentadecane-2-sulfonic acid
CID 122612573
(2S)-2-(butylsulfonylamino)pentanoic acid
CID 93252473
2-[ethylsulfonyl(methyl)amino]-N-hydroxypropanamide
CID 59950844
2-[methyl(pentanoyl)amino]propanoic acid
CID 62627616
2-octadecylsulfonylpropanoic acid
CID 22623737

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[butylsulfonyl(methylcarbamoyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[butylsulfonyl(methylcarbamoyl)amino]propanoic acid (CID 87782830) is (2R)-2-[butylsulfonyl(methylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[butylsulfonyl(methylcarbamoyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[butylsulfonyl(methylcarbamoyl)amino]propanoic acid is CCCCS(=O)(=O)N(C(=O)NC)[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[butylsulfonyl(methylcarbamoyl)amino]propanoic acid?
The InChIKey is UDXKGFHLDXDOCL-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H18N2O5S/c1-4-5-6-17(15,16)11(9(14)10-3)7(2)8(12)13/h7H,4-6H2,1-3H3,(H,10,14)(H,12,13)/t7-/m1/s1.
What are the key properties of (2R)-2-[butylsulfonyl(methylcarbamoyl)amino]propanoic acid?
(2R)-2-[butylsulfonyl(methylcarbamoyl)amino]propanoic acid has a molecular weight of 266.32 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[butylsulfonyl(methylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 87782830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).