2-aminoacetic acid;ethane;(2Z,4Z)-5-ethenylocta-2,4-diene;methanol

C15H31NO3 — CID 144536023

IUPAC2-aminoacetic acid;ethane;(2Z,4Z)-5-ethenylocta-2,4-diene;methanol
SMILESC=C/C(=C\C=C/C)CCC.CC.CO.NCC(=O)O
InChIInChI=1S/C10H16.C2H5NO2.C2H6.CH4O/c1-4-7-9-10(6-3)8-5-2;3-1-2(4)5;2*1-2/h4,6-7,9H,3,5,8H2,1-2H3;1,3H2,(H,4,5);1-2H3;2H,1H3/b7-4-,10-9+;;;
InChIKeyFJXUEHKIZQXMLO-YAMKMUPKSA-N
MW273.42 g/mol
LogP3.14
Rot. Bonds5

About 2-aminoacetic acid;ethane;(2Z,4Z)-5-ethenylocta-2,4-diene;methanol

2-aminoacetic acid;ethane;(2Z,4Z)-5-ethenylocta-2,4-diene;methanol (PubChem CID 144536023) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-aminoacetic acid;ethane;(2Z,4Z)-5-ethenylocta-2,4-diene;methanol.

Molecular Properties

Compound Name2-aminoacetic acid;ethane;(2Z,4Z)-5-ethenylocta-2,4-diene;methanol
PubChem CID144536023
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name2-aminoacetic acid;ethane;(2Z,4Z)-5-ethenylocta-2,4-diene;methanol
SMILESC=C/C(=C\C=C/C)CCC.CC.CO.NCC(=O)O
InChIInChI=1S/C10H16.C2H5NO2.C2H6.CH4O/c1-4-7-9-10(6-3)8-5-2;3-1-2(4)5;2*1-2/h4,6-7,9H,3,5,8H2,1-2H3;1,3H2,(H,4,5);1-2H3;2H,1H3/b7-4-,10-9+;;;
InChIKeyFJXUEHKIZQXMLO-YAMKMUPKSA-N
XLogP3.14
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;ethane;(2Z,4Z)-5-ethenylocta-2,4-diene;methanol?
The IUPAC name of 2-aminoacetic acid;ethane;(2Z,4Z)-5-ethenylocta-2,4-diene;methanol (CID 144536023) is 2-aminoacetic acid;ethane;(2Z,4Z)-5-ethenylocta-2,4-diene;methanol.
What is the SMILES notation for 2-aminoacetic acid;ethane;(2Z,4Z)-5-ethenylocta-2,4-diene;methanol?
The canonical SMILES for 2-aminoacetic acid;ethane;(2Z,4Z)-5-ethenylocta-2,4-diene;methanol is C=C/C(=C\C=C/C)CCC.CC.CO.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;ethane;(2Z,4Z)-5-ethenylocta-2,4-diene;methanol?
The InChIKey is FJXUEHKIZQXMLO-YAMKMUPKSA-N. The full InChI is InChI=1S/C10H16.C2H5NO2.C2H6.CH4O/c1-4-7-9-10(6-3)8-5-2;3-1-2(4)5;2*1-2/h4,6-7,9H,3,5,8H2,1-2H3;1,3H2,(H,4,5);1-2H3;2H,1H3/b7-4-,10-9+;;;.
What are the key properties of 2-aminoacetic acid;ethane;(2Z,4Z)-5-ethenylocta-2,4-diene;methanol?
2-aminoacetic acid;ethane;(2Z,4Z)-5-ethenylocta-2,4-diene;methanol has a molecular weight of 273.42 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;ethane;(2Z,4Z)-5-ethenylocta-2,4-diene;methanol is sourced from PubChem (CID 144536023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).