undecan-6-yl 2-(methylamino)acetate

C14H29NO2 — CID 135139014

IUPACundecan-6-yl 2-(methylamino)acetate
SMILESCCCCCC(CCCCC)OC(=O)CNC
InChIInChI=1S/C14H29NO2/c1-4-6-8-10-13(11-9-7-5-2)17-14(16)12-15-3/h13,15H,4-12H2,1-3H3
InChIKeyNOODYOXAGHWMQO-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.28
Rot. Bonds11

About undecan-6-yl 2-(methylamino)acetate

undecan-6-yl 2-(methylamino)acetate (PubChem CID 135139014) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is undecan-6-yl 2-(methylamino)acetate.

Molecular Properties

Compound Nameundecan-6-yl 2-(methylamino)acetate
PubChem CID135139014
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Nameundecan-6-yl 2-(methylamino)acetate
SMILESCCCCCC(CCCCC)OC(=O)CNC
InChIInChI=1S/C14H29NO2/c1-4-6-8-10-13(11-9-7-5-2)17-14(16)12-15-3/h13,15H,4-12H2,1-3H3
InChIKeyNOODYOXAGHWMQO-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.28
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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Related Compounds

tetradecan-6-yl propanoate
CID 15483723
octadecan-7-yl propanoate
CID 87732278
icosan-10-yl decanoate
CID 152733830
undecan-6-yl octadecanoate
CID 164901581
octacosan-10-yl octadecanoate
CID 158256200
icosan-8-yl dodecanoate
CID 175390267
pentadecan-8-yl butanoate
CID 164875629
heptadecan-9-yl hexanoate
CID 163299458
1-hydroxyoctadec-9-enyl 2-(methylamino)acetate
CID 91364460
dodecan-5-yl nonanoate
CID 86190865
undecan-5-yl hexanoate
CID 89466850
icosan-9-yl 8-methylnonanoate
CID 141252273

Frequently Asked Questions

What is the IUPAC name of undecan-6-yl 2-(methylamino)acetate?
The IUPAC name of undecan-6-yl 2-(methylamino)acetate (CID 135139014) is undecan-6-yl 2-(methylamino)acetate.
What is the SMILES notation for undecan-6-yl 2-(methylamino)acetate?
The canonical SMILES for undecan-6-yl 2-(methylamino)acetate is CCCCCC(CCCCC)OC(=O)CNC.
What is the InChIKey of undecan-6-yl 2-(methylamino)acetate?
The InChIKey is NOODYOXAGHWMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-6-8-10-13(11-9-7-5-2)17-14(16)12-15-3/h13,15H,4-12H2,1-3H3.
What are the key properties of undecan-6-yl 2-(methylamino)acetate?
undecan-6-yl 2-(methylamino)acetate has a molecular weight of 243.39 g/mol, XLogP of 3.28, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for undecan-6-yl 2-(methylamino)acetate is sourced from PubChem (CID 135139014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).