(2S,3Z)-2-amino-3-methylhexa-3,5-dienoic acid

C7H11NO2 — CID 153456154

IUPAC(2S,3Z)-2-amino-3-methylhexa-3,5-dienoic acid
SMILESC=C/C=C(/C)[C@H](N)C(=O)O
InChIInChI=1S/C7H11NO2/c1-3-4-5(2)6(8)7(9)10/h3-4,6H,1,8H2,2H3,(H,9,10)/b5-4-/t6-/m0/s1
InChIKeyDYDYNGGFWHCZCB-XSIKTDMUSA-N
MW141.17 g/mol
LogP0.53
Rot. Bonds3

About (2S,3Z)-2-amino-3-methylhexa-3,5-dienoic acid

(2S,3Z)-2-amino-3-methylhexa-3,5-dienoic acid (PubChem CID 153456154) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (2S,3Z)-2-amino-3-methylhexa-3,5-dienoic acid.

Molecular Properties

Compound Name(2S,3Z)-2-amino-3-methylhexa-3,5-dienoic acid
PubChem CID153456154
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(2S,3Z)-2-amino-3-methylhexa-3,5-dienoic acid
SMILESC=C/C=C(/C)[C@H](N)C(=O)O
InChIInChI=1S/C7H11NO2/c1-3-4-5(2)6(8)7(9)10/h3-4,6H,1,8H2,2H3,(H,9,10)/b5-4-/t6-/m0/s1
InChIKeyDYDYNGGFWHCZCB-XSIKTDMUSA-N
XLogP0.53
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3Z)-2-amino-3-methylhexa-3,5-dienoic acid?
The IUPAC name of (2S,3Z)-2-amino-3-methylhexa-3,5-dienoic acid (CID 153456154) is (2S,3Z)-2-amino-3-methylhexa-3,5-dienoic acid.
What is the SMILES notation for (2S,3Z)-2-amino-3-methylhexa-3,5-dienoic acid?
The canonical SMILES for (2S,3Z)-2-amino-3-methylhexa-3,5-dienoic acid is C=C/C=C(/C)[C@H](N)C(=O)O.
What is the InChIKey of (2S,3Z)-2-amino-3-methylhexa-3,5-dienoic acid?
The InChIKey is DYDYNGGFWHCZCB-XSIKTDMUSA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-4-5(2)6(8)7(9)10/h3-4,6H,1,8H2,2H3,(H,9,10)/b5-4-/t6-/m0/s1.
What are the key properties of (2S,3Z)-2-amino-3-methylhexa-3,5-dienoic acid?
(2S,3Z)-2-amino-3-methylhexa-3,5-dienoic acid has a molecular weight of 141.17 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3Z)-2-amino-3-methylhexa-3,5-dienoic acid is sourced from PubChem (CID 153456154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).