nonadec-10-enyl 2-aminoacetate

C21H41NO2 — CID 90782859

IUPACnonadec-10-enyl 2-aminoacetate
SMILESCCCCCCCCC=CCCCCCCCCCOC(=O)CN
InChIInChI=1S/C21H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21(23)20-22/h9-10H,2-8,11-20,22H2,1H3
InChIKeyDBUHYFCLMZDPHF-UHFFFAOYSA-N
MW339.56 g/mol
LogP5.92
Rot. Bonds18

About nonadec-10-enyl 2-aminoacetate

nonadec-10-enyl 2-aminoacetate (PubChem CID 90782859) has the molecular formula C21H41NO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is nonadec-10-enyl 2-aminoacetate.

Molecular Properties

Compound Namenonadec-10-enyl 2-aminoacetate
PubChem CID90782859
Molecular FormulaC21H41NO2
Molecular Weight339.56 g/mol
Exact Mass339.31
IUPAC Namenonadec-10-enyl 2-aminoacetate
SMILESCCCCCCCCC=CCCCCCCCCCOC(=O)CN
InChIInChI=1S/C21H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21(23)20-22/h9-10H,2-8,11-20,22H2,1H3
InChIKeyDBUHYFCLMZDPHF-UHFFFAOYSA-N
XLogP5.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.56
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis[(E)-tridec-5-enyl] butanedioate
CID 101280853
bis[(E)-tridec-6-enyl] butanedioate
CID 101280854
[(E)-hexadec-5-enyl] propanoate
CID 23434883
[(Z)-octadec-9-enyl] 3-oxobutanoate
CID 87266849
[(E)-hexadec-9-enyl] (E)-hexadec-9-enoate
CID 5364639
dodecyl (Z)-triacont-12-enoate
CID 170849367
[(Z)-octadec-9-enyl] hexatriacontanoate
CID 168953377
hexadec-7-enyl tetracosanoate
CID 170849358
tetradecyl hexadec-9-enoate
CID 537017
tetradecyl (Z)-docos-13-enoate
CID 57485367
octacosyl (Z)-tetracos-15-enoate
CID 168953212
pentacosyl icos-13-enoate
CID 166098592

Frequently Asked Questions

What is the IUPAC name of nonadec-10-enyl 2-aminoacetate?
The IUPAC name of nonadec-10-enyl 2-aminoacetate (CID 90782859) is nonadec-10-enyl 2-aminoacetate.
What is the SMILES notation for nonadec-10-enyl 2-aminoacetate?
The canonical SMILES for nonadec-10-enyl 2-aminoacetate is CCCCCCCCC=CCCCCCCCCCOC(=O)CN.
What is the InChIKey of nonadec-10-enyl 2-aminoacetate?
The InChIKey is DBUHYFCLMZDPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21(23)20-22/h9-10H,2-8,11-20,22H2,1H3.
What are the key properties of nonadec-10-enyl 2-aminoacetate?
nonadec-10-enyl 2-aminoacetate has a molecular weight of 339.56 g/mol, XLogP of 5.92, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonadec-10-enyl 2-aminoacetate is sourced from PubChem (CID 90782859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).