1-aminotetradecan-2-yl 2-aminoacetate

C16H34N2O2 — CID 90343536

IUPAC1-aminotetradecan-2-yl 2-aminoacetate
SMILESCCCCCCCCCCCCC(CN)OC(=O)CN
InChIInChI=1S/C16H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-15(13-17)20-16(19)14-18/h15H,2-14,17-18H2,1H3
InChIKeyMUOJJQQYEZPUDC-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.13
Rot. Bonds14

About 1-aminotetradecan-2-yl 2-aminoacetate

1-aminotetradecan-2-yl 2-aminoacetate (PubChem CID 90343536) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-aminotetradecan-2-yl 2-aminoacetate.

Molecular Properties

Compound Name1-aminotetradecan-2-yl 2-aminoacetate
PubChem CID90343536
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name1-aminotetradecan-2-yl 2-aminoacetate
SMILESCCCCCCCCCCCCC(CN)OC(=O)CN
InChIInChI=1S/C16H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-15(13-17)20-16(19)14-18/h15H,2-14,17-18H2,1H3
InChIKeyMUOJJQQYEZPUDC-UHFFFAOYSA-N
XLogP3.13
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxyicosan-3-yl 2-aminoacetate
CID 175395188
tetradecan-6-yl propanoate
CID 15483723
octadecan-7-yl propanoate
CID 87732278
heptadecan-9-yl 8-aminooctanoate
CID 129073840
hexadecan-7-yl 6-aminohexanoate
CID 162516295
icosan-8-yl dodecanoate
CID 175390267
undecan-6-yl octadecanoate
CID 164901581
octacosan-10-yl octadecanoate
CID 158256200
icosan-10-yl decanoate
CID 152733830
pentadecan-8-yl butanoate
CID 164875629
heptadecan-9-yl hexanoate
CID 163299458
dodecan-5-yl nonanoate
CID 86190865

Frequently Asked Questions

What is the IUPAC name of 1-aminotetradecan-2-yl 2-aminoacetate?
The IUPAC name of 1-aminotetradecan-2-yl 2-aminoacetate (CID 90343536) is 1-aminotetradecan-2-yl 2-aminoacetate.
What is the SMILES notation for 1-aminotetradecan-2-yl 2-aminoacetate?
The canonical SMILES for 1-aminotetradecan-2-yl 2-aminoacetate is CCCCCCCCCCCCC(CN)OC(=O)CN.
What is the InChIKey of 1-aminotetradecan-2-yl 2-aminoacetate?
The InChIKey is MUOJJQQYEZPUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-15(13-17)20-16(19)14-18/h15H,2-14,17-18H2,1H3.
What are the key properties of 1-aminotetradecan-2-yl 2-aminoacetate?
1-aminotetradecan-2-yl 2-aminoacetate has a molecular weight of 286.46 g/mol, XLogP of 3.13, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminotetradecan-2-yl 2-aminoacetate is sourced from PubChem (CID 90343536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).