dodecyl 2-aminoacetate

C14H29NO2 — CID 6452634

IUPACdodecyl 2-aminoacetate
SMILESCCCCCCCCCCCCOC(=O)CN
InChIInChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-14(16)13-15/h2-13,15H2,1H3
InChIKeyYVZRXRJDBYHNMK-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.41
Rot. Bonds12

About dodecyl 2-aminoacetate

dodecyl 2-aminoacetate (PubChem CID 6452634) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is dodecyl 2-aminoacetate.

Molecular Properties

Compound Namedodecyl 2-aminoacetate
PubChem CID6452634
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Namedodecyl 2-aminoacetate
SMILESCCCCCCCCCCCCOC(=O)CN
InChIInChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-14(16)13-15/h2-13,15H2,1H3
InChIKeyYVZRXRJDBYHNMK-UHFFFAOYSA-N
XLogP3.41
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dodecyl 2-aminoacetate?
The IUPAC name of dodecyl 2-aminoacetate (CID 6452634) is dodecyl 2-aminoacetate.
What is the SMILES notation for dodecyl 2-aminoacetate?
The canonical SMILES for dodecyl 2-aminoacetate is CCCCCCCCCCCCOC(=O)CN.
What is the InChIKey of dodecyl 2-aminoacetate?
The InChIKey is YVZRXRJDBYHNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-14(16)13-15/h2-13,15H2,1H3.
What are the key properties of dodecyl 2-aminoacetate?
dodecyl 2-aminoacetate has a molecular weight of 243.39 g/mol, XLogP of 3.41, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 2-aminoacetate is sourced from PubChem (CID 6452634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).