3-methyl-2-[[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]sulfonylamino]pentanoic acid

C14H25NO4S — CID 163654700

IUPAC3-methyl-2-[[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]sulfonylamino]pentanoic acid
SMILESC/C=C(C)\C=C/C(C)S(=O)(=O)NC(C(=O)O)C(C)CC
InChIInChI=1S/C14H25NO4S/c1-6-10(3)8-9-12(5)20(18,19)15-13(14(16)17)11(4)7-2/h6,8-9,11-13,15H,7H2,1-5H3,(H,16,17)/b9-8-,10-6-
InChIKeyIPERFRHZUMIIAS-BLQKWXTKSA-N
MW303.42 g/mol
LogP2.32
Rot. Bonds8

About 3-methyl-2-[[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]sulfonylamino]pentanoic acid

3-methyl-2-[[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]sulfonylamino]pentanoic acid (PubChem CID 163654700) has the molecular formula C14H25NO4S and a molecular weight of 303.42 g/mol. Its IUPAC name is 3-methyl-2-[[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]sulfonylamino]pentanoic acid
PubChem CID163654700
Molecular FormulaC14H25NO4S
Molecular Weight303.42 g/mol
Exact Mass303.15
IUPAC Name3-methyl-2-[[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]sulfonylamino]pentanoic acid
SMILESC/C=C(C)\C=C/C(C)S(=O)(=O)NC(C(=O)O)C(C)CC
InChIInChI=1S/C14H25NO4S/c1-6-10(3)8-9-12(5)20(18,19)15-13(14(16)17)11(4)7-2/h6,8-9,11-13,15H,7H2,1-5H3,(H,16,17)/b9-8-,10-6-
InChIKeyIPERFRHZUMIIAS-BLQKWXTKSA-N
XLogP2.32
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(difluoromethylsulfonylamino)-3-methylpentanoic acid
CID 61173996
(2S,3S)-2-(difluoromethylsulfonylamino)-3-methylpentanoic acid
CID 28606784
(2S)-3-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 104977898
(2S)-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanoic acid
CID 54947569
2-(carboxyamino)-3-methylpentanoic acid
CID 19101858
2-[(2-methoxy-2-oxoethyl)sulfonylamino]-3-methylpentanoic acid
CID 61359142
(2S,3S)-3-methyl-2-(2-methylpropylsulfamoylamino)pentanoic acid
CID 104978587
(2S,3S)-2-(hexa-2,4-dienoylamino)-3-methylpentanoic acid
CID 61132393
2-[(4-acetylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 43081296
(2S,3S)-2-(azetidin-1-ylsulfonylamino)-3-methylpentanoic acid
CID 122069875
(2S,3S)-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)pentanoic acid
CID 28784129
2-[(3,5-dimethylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 60641481

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]sulfonylamino]pentanoic acid?
The IUPAC name of 3-methyl-2-[[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]sulfonylamino]pentanoic acid (CID 163654700) is 3-methyl-2-[[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]sulfonylamino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]sulfonylamino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]sulfonylamino]pentanoic acid is C/C=C(C)\C=C/C(C)S(=O)(=O)NC(C(=O)O)C(C)CC.
What is the InChIKey of 3-methyl-2-[[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]sulfonylamino]pentanoic acid?
The InChIKey is IPERFRHZUMIIAS-BLQKWXTKSA-N. The full InChI is InChI=1S/C14H25NO4S/c1-6-10(3)8-9-12(5)20(18,19)15-13(14(16)17)11(4)7-2/h6,8-9,11-13,15H,7H2,1-5H3,(H,16,17)/b9-8-,10-6-.
What are the key properties of 3-methyl-2-[[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]sulfonylamino]pentanoic acid?
3-methyl-2-[[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]sulfonylamino]pentanoic acid has a molecular weight of 303.42 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]sulfonylamino]pentanoic acid is sourced from PubChem (CID 163654700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).