methyl 10-aminodecanoate

C11H23NO2 — CID 10655700

IUPACmethyl 10-aminodecanoate
SMILESCOC(=O)CCCCCCCCCN
InChIInChI=1S/C11H23NO2/c1-14-11(13)9-7-5-3-2-4-6-8-10-12/h2-10,12H2,1H3
InChIKeySZGHOKWWURKSHG-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.24
Rot. Bonds9

About methyl 10-aminodecanoate

methyl 10-aminodecanoate (PubChem CID 10655700) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is methyl 10-aminodecanoate.

Molecular Properties

Compound Namemethyl 10-aminodecanoate
PubChem CID10655700
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namemethyl 10-aminodecanoate
SMILESCOC(=O)CCCCCCCCCN
InChIInChI=1S/C11H23NO2/c1-14-11(13)9-7-5-3-2-4-6-8-10-12/h2-10,12H2,1H3
InChIKeySZGHOKWWURKSHG-UHFFFAOYSA-N
XLogP2.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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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Related Compounds

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dimethyl tricosanedioate
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CID 90703426
dimethyl dotriacontanedioate
CID 14325565
methyl 3-(6-aminohexanoylamino)propanoate
CID 61252126
methyl 8-amino-7-oxooctanoate
CID 23251276
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl hexanedioate;stannane
CID 173290076
7-aminoheptanoic acid;methanol;methyl 7-aminoheptanoate;thionyl dichloride;hydrochloride
CID 159786448
methyl 18-fluorooctadecanoate
CID 10034
methylamino 6-aminohexanoate
CID 176679368

Frequently Asked Questions

What is the IUPAC name of methyl 10-aminodecanoate?
The IUPAC name of methyl 10-aminodecanoate (CID 10655700) is methyl 10-aminodecanoate.
What is the SMILES notation for methyl 10-aminodecanoate?
The canonical SMILES for methyl 10-aminodecanoate is COC(=O)CCCCCCCCCN.
What is the InChIKey of methyl 10-aminodecanoate?
The InChIKey is SZGHOKWWURKSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-14-11(13)9-7-5-3-2-4-6-8-10-12/h2-10,12H2,1H3.
What are the key properties of methyl 10-aminodecanoate?
methyl 10-aminodecanoate has a molecular weight of 201.31 g/mol, XLogP of 2.24, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-aminodecanoate is sourced from PubChem (CID 10655700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).