(2R)-2-(propan-2-ylsulfamoylamino)pentanoic acid

C8H18N2O4S — CID 107260702

IUPAC(2R)-2-(propan-2-ylsulfamoylamino)pentanoic acid
SMILESCCC[C@@H](NS(=O)(=O)NC(C)C)C(=O)O
InChIInChI=1S/C8H18N2O4S/c1-4-5-7(8(11)12)10-15(13,14)9-6(2)3/h6-7,9-10H,4-5H2,1-3H3,(H,11,12)/t7-/m1/s1
InChIKeyLGEZPDJOEAFKOK-SSDOTTSWSA-N
MW238.31 g/mol
LogP0.07
Rot. Bonds7

About (2R)-2-(propan-2-ylsulfamoylamino)pentanoic acid

(2R)-2-(propan-2-ylsulfamoylamino)pentanoic acid (PubChem CID 107260702) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is (2R)-2-(propan-2-ylsulfamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-(propan-2-ylsulfamoylamino)pentanoic acid
PubChem CID107260702
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name(2R)-2-(propan-2-ylsulfamoylamino)pentanoic acid
SMILESCCC[C@@H](NS(=O)(=O)NC(C)C)C(=O)O
InChIInChI=1S/C8H18N2O4S/c1-4-5-7(8(11)12)10-15(13,14)9-6(2)3/h6-7,9-10H,4-5H2,1-3H3,(H,11,12)/t7-/m1/s1
InChIKeyLGEZPDJOEAFKOK-SSDOTTSWSA-N
XLogP0.07
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 104977908
2-(tert-butylsulfamoylamino)pentanoic acid
CID 114805519
3-methoxy-2-(propan-2-ylsulfamoylamino)propanoic acid
CID 114806743
(2S)-4-phenyl-2-(propan-2-ylsulfamoylamino)butanoic acid
CID 104983267
benzene;2-(methanesulfonamido)pentanoic acid
CID 68896483
2-(propan-2-ylsulfamoylamino)pentanimidamide
CID 114813355
2-(dimethylsulfamoylamino)pentanoic acid
CID 43631196
(2R)-2-(2-methoxyethylsulfamoylamino)pentanoic acid
CID 107564844
(2S)-2-(methylsulfonylmethylsulfonylamino)pentanoic acid
CID 107564884
(2S)-2-(butylsulfonylamino)pentanoic acid
CID 93252473
3-phenyl-2-(propan-2-ylsulfamoylamino)propanoic acid
CID 85300232
(2S)-4-methyl-2-(propylsulfonylamino)pentanoic acid
CID 42256033

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(propan-2-ylsulfamoylamino)pentanoic acid?
The IUPAC name of (2R)-2-(propan-2-ylsulfamoylamino)pentanoic acid (CID 107260702) is (2R)-2-(propan-2-ylsulfamoylamino)pentanoic acid.
What is the SMILES notation for (2R)-2-(propan-2-ylsulfamoylamino)pentanoic acid?
The canonical SMILES for (2R)-2-(propan-2-ylsulfamoylamino)pentanoic acid is CCC[C@@H](NS(=O)(=O)NC(C)C)C(=O)O.
What is the InChIKey of (2R)-2-(propan-2-ylsulfamoylamino)pentanoic acid?
The InChIKey is LGEZPDJOEAFKOK-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-4-5-7(8(11)12)10-15(13,14)9-6(2)3/h6-7,9-10H,4-5H2,1-3H3,(H,11,12)/t7-/m1/s1.
What are the key properties of (2R)-2-(propan-2-ylsulfamoylamino)pentanoic acid?
(2R)-2-(propan-2-ylsulfamoylamino)pentanoic acid has a molecular weight of 238.31 g/mol, XLogP of 0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(propan-2-ylsulfamoylamino)pentanoic acid is sourced from PubChem (CID 107260702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).