2-(octa-3,4-dienoylamino)acetic acid

C10H15NO3 — CID 131802971

IUPAC2-(octa-3,4-dienoylamino)acetic acid
SMILESCCCC=C=CCC(=O)NCC(=O)O
InChIInChI=1S/C10H15NO3/c1-2-3-4-5-6-7-9(12)11-8-10(13)14/h4,6H,2-3,7-8H2,1H3,(H,11,12)(H,13,14)
InChIKeyJJIQYDHNEZLYDU-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.09
Rot. Bonds6

About 2-(octa-3,4-dienoylamino)acetic acid

2-(octa-3,4-dienoylamino)acetic acid (PubChem CID 131802971) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-(octa-3,4-dienoylamino)acetic acid.

Molecular Properties

Compound Name2-(octa-3,4-dienoylamino)acetic acid
PubChem CID131802971
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-(octa-3,4-dienoylamino)acetic acid
SMILESCCCC=C=CCC(=O)NCC(=O)O
InChIInChI=1S/C10H15NO3/c1-2-3-4-5-6-7-9(12)11-8-10(13)14/h4,6H,2-3,7-8H2,1H3,(H,11,12)(H,13,14)
InChIKeyJJIQYDHNEZLYDU-UHFFFAOYSA-N
XLogP1.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(octa-3,4-dienoylamino)acetic acid?
The IUPAC name of 2-(octa-3,4-dienoylamino)acetic acid (CID 131802971) is 2-(octa-3,4-dienoylamino)acetic acid.
What is the SMILES notation for 2-(octa-3,4-dienoylamino)acetic acid?
The canonical SMILES for 2-(octa-3,4-dienoylamino)acetic acid is CCCC=C=CCC(=O)NCC(=O)O.
What is the InChIKey of 2-(octa-3,4-dienoylamino)acetic acid?
The InChIKey is JJIQYDHNEZLYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-3-4-5-6-7-9(12)11-8-10(13)14/h4,6H,2-3,7-8H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-(octa-3,4-dienoylamino)acetic acid?
2-(octa-3,4-dienoylamino)acetic acid has a molecular weight of 197.23 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(octa-3,4-dienoylamino)acetic acid is sourced from PubChem (CID 131802971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).