1-tetradecylaziridine-2-carboxylate

C17H32NO2- — CID 58963949

IUPAC1-tetradecylaziridine-2-carboxylate
SMILESCCCCCCCCCCCCCCN1CC1C(=O)[O-]
InChIInChI=1S/C17H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-16(18)17(19)20/h16H,2-15H2,1H3,(H,19,20)/p-1
InChIKeyRGLBHYXHARJUQW-UHFFFAOYSA-M
MW282.45 g/mol
LogP3.12
Rot. Bonds14

About 1-tetradecylaziridine-2-carboxylate

1-tetradecylaziridine-2-carboxylate (PubChem CID 58963949) has the molecular formula C17H32NO2- and a molecular weight of 282.45 g/mol. Its IUPAC name is 1-tetradecylaziridine-2-carboxylate.

Molecular Properties

Compound Name1-tetradecylaziridine-2-carboxylate
PubChem CID58963949
Molecular FormulaC17H32NO2-
Molecular Weight282.45 g/mol
Exact Mass282.24
IUPAC Name1-tetradecylaziridine-2-carboxylate
SMILESCCCCCCCCCCCCCCN1CC1C(=O)[O-]
InChIInChI=1S/C17H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-16(18)17(19)20/h16H,2-15H2,1H3,(H,19,20)/p-1
InChIKeyRGLBHYXHARJUQW-UHFFFAOYSA-M
XLogP3.12
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-butylaziridine-2-carboxylic acid
CID 11643985
1-heptyl-2-methylaziridine
CID 142378837
methyl 1-decyl-4-hydroxypyrrolidine-2-carboxylate
CID 115971596
(1-dodecylaziridin-2-yl)methanol
CID 87744504
1-propylaziridine-2-carboxylic acid
CID 59817296
(2S,4R)-1-butyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 67718958
1-nonylpyrrolidine-2-carboxylic acid
CID 43441741
sodium 1-octadecyl-5-oxopyrrolidine-3-carboxylate
CID 23662612
CID 172742310
CID 172742310
potassium (2S)-1-tetradecanoylpyrrolidine-2-carboxylate
CID 177344572
ethyl 3-hexyl-1,3-thiazolidine-4-carboxylate
CID 3762108
4-chloro-1-hexylpyrrolidin-2-one
CID 168687403

Frequently Asked Questions

What is the IUPAC name of 1-tetradecylaziridine-2-carboxylate?
The IUPAC name of 1-tetradecylaziridine-2-carboxylate (CID 58963949) is 1-tetradecylaziridine-2-carboxylate.
What is the SMILES notation for 1-tetradecylaziridine-2-carboxylate?
The canonical SMILES for 1-tetradecylaziridine-2-carboxylate is CCCCCCCCCCCCCCN1CC1C(=O)[O-].
What is the InChIKey of 1-tetradecylaziridine-2-carboxylate?
The InChIKey is RGLBHYXHARJUQW-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-16(18)17(19)20/h16H,2-15H2,1H3,(H,19,20)/p-1.
What are the key properties of 1-tetradecylaziridine-2-carboxylate?
1-tetradecylaziridine-2-carboxylate has a molecular weight of 282.45 g/mol, XLogP of 3.12, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tetradecylaziridine-2-carboxylate is sourced from PubChem (CID 58963949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).