methyl 3-(decanoylamino)-2-hydroxypropanoate

C14H27NO4 — CID 103957869

IUPACmethyl 3-(decanoylamino)-2-hydroxypropanoate
SMILESCCCCCCCCCC(=O)NCC(O)C(=O)OC
InChIInChI=1S/C14H27NO4/c1-3-4-5-6-7-8-9-10-13(17)15-11-12(16)14(18)19-2/h12,16H,3-11H2,1-2H3,(H,15,17)
InChIKeyFYBNEIBOMIEQOH-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.78
Rot. Bonds11

About methyl 3-(decanoylamino)-2-hydroxypropanoate

methyl 3-(decanoylamino)-2-hydroxypropanoate (PubChem CID 103957869) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is methyl 3-(decanoylamino)-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-(decanoylamino)-2-hydroxypropanoate
PubChem CID103957869
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Namemethyl 3-(decanoylamino)-2-hydroxypropanoate
SMILESCCCCCCCCCC(=O)NCC(O)C(=O)OC
InChIInChI=1S/C14H27NO4/c1-3-4-5-6-7-8-9-10-13(17)15-11-12(16)14(18)19-2/h12,16H,3-11H2,1-2H3,(H,15,17)
InChIKeyFYBNEIBOMIEQOH-UHFFFAOYSA-N
XLogP1.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-6-oxohexanoic acid
CID 107214923
methyl 2-chloro-3-(decanoylamino)propanoate
CID 103492807
N-[3-(hexadecanoylamino)-2-methylpropyl]hexadecanamide
CID 130353709
N-(2-hydroxypropyl)nonadecanamide
CID 102118860
N-(2-aminopropyl)octadecanamide
CID 86003506
[10-[[3-(decanoylamino)-2-hydroxypropyl]amino]-10-oxodecyl] hexadecanoate
CID 147853760
[16-[[2-hydroxy-3-(octanoylamino)propyl]amino]-16-oxohexadecyl] octanoate
CID 153483284
4-(decanoylamino)-3-hydroxybutanoic acid
CID 23163718
N-(2-ethoxypropyl)dodecanamide
CID 173205784
N-(2-hydroxypropyl)dodecanamide;phosphoric acid
CID 175492996
12-hydroxy-N-(2-hydroxyhexyl)octadecanamide
CID 22735081
methyl 3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoate
CID 103879388

Frequently Asked Questions

What is the IUPAC name of methyl 3-(decanoylamino)-2-hydroxypropanoate?
The IUPAC name of methyl 3-(decanoylamino)-2-hydroxypropanoate (CID 103957869) is methyl 3-(decanoylamino)-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-(decanoylamino)-2-hydroxypropanoate?
The canonical SMILES for methyl 3-(decanoylamino)-2-hydroxypropanoate is CCCCCCCCCC(=O)NCC(O)C(=O)OC.
What is the InChIKey of methyl 3-(decanoylamino)-2-hydroxypropanoate?
The InChIKey is FYBNEIBOMIEQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-3-4-5-6-7-8-9-10-13(17)15-11-12(16)14(18)19-2/h12,16H,3-11H2,1-2H3,(H,15,17).
What are the key properties of methyl 3-(decanoylamino)-2-hydroxypropanoate?
methyl 3-(decanoylamino)-2-hydroxypropanoate has a molecular weight of 273.37 g/mol, XLogP of 1.78, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(decanoylamino)-2-hydroxypropanoate is sourced from PubChem (CID 103957869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).