methyl 10-(1-aminobutan-2-yloxy)decanoate

C15H31NO3 — CID 177224783

IUPACmethyl 10-(1-aminobutan-2-yloxy)decanoate
SMILESCCC(CN)OCCCCCCCCCC(=O)OC
InChIInChI=1S/C15H31NO3/c1-3-14(13-16)19-12-10-8-6-4-5-7-9-11-15(17)18-2/h14H,3-13,16H2,1-2H3
InChIKeySQDOTRBIDXXIFU-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.03
Rot. Bonds13

About methyl 10-(1-aminobutan-2-yloxy)decanoate

methyl 10-(1-aminobutan-2-yloxy)decanoate (PubChem CID 177224783) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is methyl 10-(1-aminobutan-2-yloxy)decanoate.

Molecular Properties

Compound Namemethyl 10-(1-aminobutan-2-yloxy)decanoate
PubChem CID177224783
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Namemethyl 10-(1-aminobutan-2-yloxy)decanoate
SMILESCCC(CN)OCCCCCCCCCC(=O)OC
InChIInChI=1S/C15H31NO3/c1-3-14(13-16)19-12-10-8-6-4-5-7-9-11-15(17)18-2/h14H,3-13,16H2,1-2H3
InChIKeySQDOTRBIDXXIFU-UHFFFAOYSA-N
XLogP3.03
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 10-(1-aminobutan-2-yloxy)decanoate?
The IUPAC name of methyl 10-(1-aminobutan-2-yloxy)decanoate (CID 177224783) is methyl 10-(1-aminobutan-2-yloxy)decanoate.
What is the SMILES notation for methyl 10-(1-aminobutan-2-yloxy)decanoate?
The canonical SMILES for methyl 10-(1-aminobutan-2-yloxy)decanoate is CCC(CN)OCCCCCCCCCC(=O)OC.
What is the InChIKey of methyl 10-(1-aminobutan-2-yloxy)decanoate?
The InChIKey is SQDOTRBIDXXIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-3-14(13-16)19-12-10-8-6-4-5-7-9-11-15(17)18-2/h14H,3-13,16H2,1-2H3.
What are the key properties of methyl 10-(1-aminobutan-2-yloxy)decanoate?
methyl 10-(1-aminobutan-2-yloxy)decanoate has a molecular weight of 273.42 g/mol, XLogP of 3.03, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-(1-aminobutan-2-yloxy)decanoate is sourced from PubChem (CID 177224783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).