ethane;2-[ethyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]acetic acid

C14H25NO2 — CID 143432503

IUPACethane;2-[ethyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]acetic acid
SMILESC=C/C=C(\C=C/C)CN(CC)CC(=O)O.CC
InChIInChI=1S/C12H19NO2.C2H6/c1-4-7-11(8-5-2)9-13(6-3)10-12(14)15;1-2/h4-5,7-8H,1,6,9-10H2,2-3H3,(H,14,15);1-2H3/b8-5-,11-7+;
InChIKeyOOYQUZSTNIYOLG-UJCNWHNNSA-N
MW239.36 g/mol
LogP3.11
Rot. Bonds7

About ethane;2-[ethyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]acetic acid

ethane;2-[ethyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]acetic acid (PubChem CID 143432503) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is ethane;2-[ethyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]acetic acid.

Molecular Properties

Compound Nameethane;2-[ethyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]acetic acid
PubChem CID143432503
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nameethane;2-[ethyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]acetic acid
SMILESC=C/C=C(\C=C/C)CN(CC)CC(=O)O.CC
InChIInChI=1S/C12H19NO2.C2H6/c1-4-7-11(8-5-2)9-13(6-3)10-12(14)15;1-2/h4-5,7-8H,1,6,9-10H2,2-3H3,(H,14,15);1-2H3/b8-5-,11-7+;
InChIKeyOOYQUZSTNIYOLG-UJCNWHNNSA-N
XLogP3.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
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 ethane;2-[ethyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]acetic acid?
The IUPAC name of ethane;2-[ethyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]acetic acid (CID 143432503) is ethane;2-[ethyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]acetic acid.
What is the SMILES notation for ethane;2-[ethyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]acetic acid?
The canonical SMILES for ethane;2-[ethyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]acetic acid is C=C/C=C(\C=C/C)CN(CC)CC(=O)O.CC.
What is the InChIKey of ethane;2-[ethyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]acetic acid?
The InChIKey is OOYQUZSTNIYOLG-UJCNWHNNSA-N. The full InChI is InChI=1S/C12H19NO2.C2H6/c1-4-7-11(8-5-2)9-13(6-3)10-12(14)15;1-2/h4-5,7-8H,1,6,9-10H2,2-3H3,(H,14,15);1-2H3/b8-5-,11-7+;.
What are the key properties of ethane;2-[ethyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]acetic acid?
ethane;2-[ethyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]acetic acid has a molecular weight of 239.36 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[ethyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]acetic acid is sourced from PubChem (CID 143432503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).