methyl 2-aminodecanoate

C11H23NO2 — CID 14482566

IUPACmethyl 2-aminodecanoate
SMILESCCCCCCCCC(N)C(=O)OC
InChIInChI=1S/C11H23NO2/c1-3-4-5-6-7-8-9-10(12)11(13)14-2/h10H,3-9,12H2,1-2H3
InChIKeyMCUKSQZXVSZPAW-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.24
Rot. Bonds8

About methyl 2-aminodecanoate

methyl 2-aminodecanoate (PubChem CID 14482566) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is methyl 2-aminodecanoate.

Molecular Properties

Compound Namemethyl 2-aminodecanoate
PubChem CID14482566
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namemethyl 2-aminodecanoate
SMILESCCCCCCCCC(N)C(=O)OC
InChIInChI=1S/C11H23NO2/c1-3-4-5-6-7-8-9-10(12)11(13)14-2/h10H,3-9,12H2,1-2H3
InChIKeyMCUKSQZXVSZPAW-UHFFFAOYSA-N
XLogP2.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.24
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 methyl 2-aminodecanoate?
The IUPAC name of methyl 2-aminodecanoate (CID 14482566) is methyl 2-aminodecanoate.
What is the SMILES notation for methyl 2-aminodecanoate?
The canonical SMILES for methyl 2-aminodecanoate is CCCCCCCCC(N)C(=O)OC.
What is the InChIKey of methyl 2-aminodecanoate?
The InChIKey is MCUKSQZXVSZPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-4-5-6-7-8-9-10(12)11(13)14-2/h10H,3-9,12H2,1-2H3.
What are the key properties of methyl 2-aminodecanoate?
methyl 2-aminodecanoate has a molecular weight of 201.31 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-aminodecanoate is sourced from PubChem (CID 14482566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).