(Z)-2-aminooctadec-9-enoic acid

C18H35NO2 — CID 6441701

IUPAC(Z)-2-aminooctadec-9-enoic acid
SMILESCCCCCCCC/C=C\CCCCCCC(N)C(=O)O
InChIInChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h9-10,17H,2-8,11-16,19H2,1H3,(H,20,21)/b10-9-
InChIKeyODURFHDFZAVGHC-KTKRTIGZSA-N
MW297.48 g/mol
LogP5.05
Rot. Bonds15

About (Z)-2-aminooctadec-9-enoic acid

(Z)-2-aminooctadec-9-enoic acid (PubChem CID 6441701) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is (Z)-2-aminooctadec-9-enoic acid.

Molecular Properties

Compound Name(Z)-2-aminooctadec-9-enoic acid
PubChem CID6441701
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name(Z)-2-aminooctadec-9-enoic acid
SMILESCCCCCCCC/C=C\CCCCCCC(N)C(=O)O
InChIInChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h9-10,17H,2-8,11-16,19H2,1H3,(H,20,21)/b10-9-
InChIKeyODURFHDFZAVGHC-KTKRTIGZSA-N
XLogP5.05
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.48
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-aminooctadec-9-enoic acid?
The IUPAC name of (Z)-2-aminooctadec-9-enoic acid (CID 6441701) is (Z)-2-aminooctadec-9-enoic acid.
What is the SMILES notation for (Z)-2-aminooctadec-9-enoic acid?
The canonical SMILES for (Z)-2-aminooctadec-9-enoic acid is CCCCCCCC/C=C\CCCCCCC(N)C(=O)O.
What is the InChIKey of (Z)-2-aminooctadec-9-enoic acid?
The InChIKey is ODURFHDFZAVGHC-KTKRTIGZSA-N. The full InChI is InChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h9-10,17H,2-8,11-16,19H2,1H3,(H,20,21)/b10-9-.
What are the key properties of (Z)-2-aminooctadec-9-enoic acid?
(Z)-2-aminooctadec-9-enoic acid has a molecular weight of 297.48 g/mol, XLogP of 5.05, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-aminooctadec-9-enoic acid is sourced from PubChem (CID 6441701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).