octyl 2-(2-methylpropylamino)acetate

C14H29NO2 — CID 63065599

IUPACoctyl 2-(2-methylpropylamino)acetate
SMILESCCCCCCCCOC(=O)CNCC(C)C
InChIInChI=1S/C14H29NO2/c1-4-5-6-7-8-9-10-17-14(16)12-15-11-13(2)3/h13,15H,4-12H2,1-3H3
InChIKeyZVKHGTUBPQLMJQ-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.14
Rot. Bonds11

About octyl 2-(2-methylpropylamino)acetate

octyl 2-(2-methylpropylamino)acetate (PubChem CID 63065599) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is octyl 2-(2-methylpropylamino)acetate.

Molecular Properties

Compound Nameoctyl 2-(2-methylpropylamino)acetate
PubChem CID63065599
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Nameoctyl 2-(2-methylpropylamino)acetate
SMILESCCCCCCCCOC(=O)CNCC(C)C
InChIInChI=1S/C14H29NO2/c1-4-5-6-7-8-9-10-17-14(16)12-15-11-13(2)3/h13,15H,4-12H2,1-3H3
InChIKeyZVKHGTUBPQLMJQ-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
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

3-methylbutyl 2-(2-methylpropylamino)acetate
CID 63065072
butyl 2-(2-methoxypropylamino)acetate
CID 102698141
nonyl 3-methylbutanoate
CID 5463914
pentyl 2-(propan-2-ylamino)acetate
CID 61304310
butyl 2-(octylamino)acetate
CID 115567498
1-O-hexyl 3-O-(3-methylbutyl) propanedioate
CID 91703569
[(2-heptoxy-2-oxoethyl)amino]methylphosphonic acid
CID 86159815
CID 156540534
CID 156540534
4-O-decyl 1-O-octyl (2R)-2-methylbutanedioate
CID 170657215
3,3-dimethylbutyl 2-(2-methylpropylamino)acetate
CID 66226218
dihexyl 3-(3-methylbutyl)pentanedioate
CID 171439359
dioctyl propanedioate;titanium
CID 174779164

Frequently Asked Questions

What is the IUPAC name of octyl 2-(2-methylpropylamino)acetate?
The IUPAC name of octyl 2-(2-methylpropylamino)acetate (CID 63065599) is octyl 2-(2-methylpropylamino)acetate.
What is the SMILES notation for octyl 2-(2-methylpropylamino)acetate?
The canonical SMILES for octyl 2-(2-methylpropylamino)acetate is CCCCCCCCOC(=O)CNCC(C)C.
What is the InChIKey of octyl 2-(2-methylpropylamino)acetate?
The InChIKey is ZVKHGTUBPQLMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-5-6-7-8-9-10-17-14(16)12-15-11-13(2)3/h13,15H,4-12H2,1-3H3.
What are the key properties of octyl 2-(2-methylpropylamino)acetate?
octyl 2-(2-methylpropylamino)acetate has a molecular weight of 243.39 g/mol, XLogP of 3.14, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octyl 2-(2-methylpropylamino)acetate is sourced from PubChem (CID 63065599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).