(2S)-4-methyl-2-[(1-methylcyclopropyl)sulfonylamino]pentanoic acid

C10H19NO4S — CID 122069192

IUPAC(2S)-4-methyl-2-[(1-methylcyclopropyl)sulfonylamino]pentanoic acid
SMILESCC(C)C[C@H](NS(=O)(=O)C1(C)CC1)C(=O)O
InChIInChI=1S/C10H19NO4S/c1-7(2)6-8(9(12)13)11-16(14,15)10(3)4-5-10/h7-8,11H,4-6H2,1-3H3,(H,12,13)/t8-/m0/s1
InChIKeyODKSFQGYSFPITR-QMMMGPOBSA-N
MW249.33 g/mol
LogP0.96
Rot. Bonds6

About (2S)-4-methyl-2-[(1-methylcyclopropyl)sulfonylamino]pentanoic acid

(2S)-4-methyl-2-[(1-methylcyclopropyl)sulfonylamino]pentanoic acid (PubChem CID 122069192) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is (2S)-4-methyl-2-[(1-methylcyclopropyl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[(1-methylcyclopropyl)sulfonylamino]pentanoic acid
PubChem CID122069192
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name(2S)-4-methyl-2-[(1-methylcyclopropyl)sulfonylamino]pentanoic acid
SMILESCC(C)C[C@H](NS(=O)(=O)C1(C)CC1)C(=O)O
InChIInChI=1S/C10H19NO4S/c1-7(2)6-8(9(12)13)11-16(14,15)10(3)4-5-10/h7-8,11H,4-6H2,1-3H3,(H,12,13)/t8-/m0/s1
InChIKeyODKSFQGYSFPITR-QMMMGPOBSA-N
XLogP0.96
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 104977908
(2S)-4-methyl-2-(methylsulfamoylamino)pentanoic acid
CID 104977832
(2R)-2-(cyclopropylsulfonylamino)-4-methylpentanoic acid
CID 78996641
(2S)-4-methyl-2-(propylsulfonylamino)pentanoic acid
CID 42256033
4-methyl-2-(propylsulfamoylamino)pentanoic acid
CID 114805227
(2R)-2-(azepan-1-ylsulfonylamino)-4-methylpentanoic acid
CID 28783951
2-(cyclohexylsulfonylamino)-4-methylpentanoic acid
CID 61065990
(2S)-2-(cyclohexylsulfonylamino)-4-methylpentanoic acid
CID 61155518
(2S)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanoic acid
CID 61155878
2-[[2-[(1-carboxy-3-methylbutyl)sulfamoyl]phenyl]sulfonylamino]-4-methylpentanoic acid
CID 24761708
(2S)-2-(carboxymethylamino)-4-methylpentanoic acid
CID 15691184
(2R)-4-methyl-2-(3,3,3-trifluoropropylsulfonylamino)pentanoic acid
CID 122069291

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[(1-methylcyclopropyl)sulfonylamino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[(1-methylcyclopropyl)sulfonylamino]pentanoic acid (CID 122069192) is (2S)-4-methyl-2-[(1-methylcyclopropyl)sulfonylamino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[(1-methylcyclopropyl)sulfonylamino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[(1-methylcyclopropyl)sulfonylamino]pentanoic acid is CC(C)C[C@H](NS(=O)(=O)C1(C)CC1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[(1-methylcyclopropyl)sulfonylamino]pentanoic acid?
The InChIKey is ODKSFQGYSFPITR-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-7(2)6-8(9(12)13)11-16(14,15)10(3)4-5-10/h7-8,11H,4-6H2,1-3H3,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[(1-methylcyclopropyl)sulfonylamino]pentanoic acid?
(2S)-4-methyl-2-[(1-methylcyclopropyl)sulfonylamino]pentanoic acid has a molecular weight of 249.33 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[(1-methylcyclopropyl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 122069192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).