(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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Related Compounds

(2S)-2-amino-3-methylbut-3-enoic acid
CID 11332562
(2Z)-1-methoxy-2-methylpenta-2,4-dien-1-amine
CID 167020251
2-[(2E)-penta-2,4-dien-2-yl]oxyacetic acid
CID 171093400
(2E)-2-methylpenta-2,4-diene-1,1-diol
CID 142275116
acetic acid;buta-1,3-diene-1,1-diol
CID 174422990
(2S)-3-methylhexa-3,5-dien-2-ol
CID 91237293
2-[(2R)-but-3-en-2-yl]propanedioic acid
CID 87149049
3-methyl-1-[methyl(dimethylidene)-λ6-sulfanyl]hexa-3,5-dien-2-amine
CID 91360087
acetic acid;2,2-diaminoacetic acid
CID 129094898
2-aminopropanedioic acid;2-(ethenylamino)propanedioic acid
CID 87392583
4-propan-2-yloxypenta-1,3-diene
CID 123824588
(3E)-3-methylhexa-3,5-diene-1,2-diamine;prop-1-yne
CID 143110018

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).