2-(tert-butylsulfamoylamino)pentanoic acid

C9H20N2O4S — CID 114805519

IUPAC2-(tert-butylsulfamoylamino)pentanoic acid
SMILESCCCC(NS(=O)(=O)NC(C)(C)C)C(=O)O
InChIInChI=1S/C9H20N2O4S/c1-5-6-7(8(12)13)10-16(14,15)11-9(2,3)4/h7,10-11H,5-6H2,1-4H3,(H,12,13)
InChIKeyDTRQKDVKJYGELP-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.46
Rot. Bonds6

About 2-(tert-butylsulfamoylamino)pentanoic acid

2-(tert-butylsulfamoylamino)pentanoic acid (PubChem CID 114805519) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-(tert-butylsulfamoylamino)pentanoic acid.

Molecular Properties

Compound Name2-(tert-butylsulfamoylamino)pentanoic acid
PubChem CID114805519
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name2-(tert-butylsulfamoylamino)pentanoic acid
SMILESCCCC(NS(=O)(=O)NC(C)(C)C)C(=O)O
InChIInChI=1S/C9H20N2O4S/c1-5-6-7(8(12)13)10-16(14,15)11-9(2,3)4/h7,10-11H,5-6H2,1-4H3,(H,12,13)
InChIKeyDTRQKDVKJYGELP-UHFFFAOYSA-N
XLogP0.46
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(tert-butylsulfamoylamino)butanedioic acid
CID 104977979
(2R)-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 107260702
(2S)-2-(3,3-dimethylbutylsulfonylamino)pentanoic acid
CID 104934822
2-(tert-butylsulfamoylamino)-3-phenylpropanoic acid
CID 114805224
benzene;2-(methanesulfonamido)pentanoic acid
CID 68896483
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
(2R)-2-(tert-butylsulfamoylamino)-3-methylbutanoic acid
CID 104977951
(2R)-2-[(4-tert-butylphenyl)sulfonylamino]pentanoic acid
CID 93252469
(2S)-2-[(2-methyl-2-methylsulfonylpropanoyl)amino]pentanoic acid
CID 107564506

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfamoylamino)pentanoic acid?
The IUPAC name of 2-(tert-butylsulfamoylamino)pentanoic acid (CID 114805519) is 2-(tert-butylsulfamoylamino)pentanoic acid.
What is the SMILES notation for 2-(tert-butylsulfamoylamino)pentanoic acid?
The canonical SMILES for 2-(tert-butylsulfamoylamino)pentanoic acid is CCCC(NS(=O)(=O)NC(C)(C)C)C(=O)O.
What is the InChIKey of 2-(tert-butylsulfamoylamino)pentanoic acid?
The InChIKey is DTRQKDVKJYGELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-5-6-7(8(12)13)10-16(14,15)11-9(2,3)4/h7,10-11H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 2-(tert-butylsulfamoylamino)pentanoic acid?
2-(tert-butylsulfamoylamino)pentanoic acid has a molecular weight of 252.34 g/mol, XLogP of 0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfamoylamino)pentanoic acid is sourced from PubChem (CID 114805519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).