(1-amino-2-hydroxypropyl) decanoate

C13H27NO3 — CID 154318837

IUPAC(1-amino-2-hydroxypropyl) decanoate
SMILESCCCCCCCCCC(=O)OC(N)C(C)O
InChIInChI=1S/C13H27NO3/c1-3-4-5-6-7-8-9-10-12(16)17-13(14)11(2)15/h11,13,15H,3-10,14H2,1-2H3
InChIKeyXHVCOKHGZVDLLE-UHFFFAOYSA-N
MW245.36 g/mol
LogP2.34
Rot. Bonds10

About (1-amino-2-hydroxypropyl) decanoate

(1-amino-2-hydroxypropyl) decanoate (PubChem CID 154318837) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is (1-amino-2-hydroxypropyl) decanoate.

Molecular Properties

Compound Name(1-amino-2-hydroxypropyl) decanoate
PubChem CID154318837
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name(1-amino-2-hydroxypropyl) decanoate
SMILESCCCCCCCCCC(=O)OC(N)C(C)O
InChIInChI=1S/C13H27NO3/c1-3-4-5-6-7-8-9-10-12(16)17-13(14)11(2)15/h11,13,15H,3-10,14H2,1-2H3
InChIKeyXHVCOKHGZVDLLE-UHFFFAOYSA-N
XLogP2.34
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-aminoethyl decanoate
CID 87547112
1-hydroxyethyl hexadecanoate
CID 87454687
1-hydroxyethyl decanoate
CID 176884014
1,1-dihydroxypropan-2-yl octadecanoate
CID 130277700
propan-2-yl undecanoate
CID 3016538
3-nonanoyloxybutan-2-yl nonanoate
CID 3050129
dihydroxymethyl nonanoate
CID 118275765
1-aminopropyl hexadecanoate
CID 87346245
propan-2-yl dodecanoate;titanium(2+)
CID 18314327
azane;dihydroxymethyl octadecanoate
CID 174373244
(1-hydroxy-2,2-dimethylpropyl) octanoate
CID 141028635
(2S)-2-amino-3-octanoyloxybutanoic acid
CID 141246008

Frequently Asked Questions

What is the IUPAC name of (1-amino-2-hydroxypropyl) decanoate?
The IUPAC name of (1-amino-2-hydroxypropyl) decanoate (CID 154318837) is (1-amino-2-hydroxypropyl) decanoate.
What is the SMILES notation for (1-amino-2-hydroxypropyl) decanoate?
The canonical SMILES for (1-amino-2-hydroxypropyl) decanoate is CCCCCCCCCC(=O)OC(N)C(C)O.
What is the InChIKey of (1-amino-2-hydroxypropyl) decanoate?
The InChIKey is XHVCOKHGZVDLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-3-4-5-6-7-8-9-10-12(16)17-13(14)11(2)15/h11,13,15H,3-10,14H2,1-2H3.
What are the key properties of (1-amino-2-hydroxypropyl) decanoate?
(1-amino-2-hydroxypropyl) decanoate has a molecular weight of 245.36 g/mol, XLogP of 2.34, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-hydroxypropyl) decanoate is sourced from PubChem (CID 154318837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).