[3-(2-aminoacetyl)oxy-2-hydroxypropyl] tetradecanoate

C19H37NO5 — CID 91467511

IUPAC[3-(2-aminoacetyl)oxy-2-hydroxypropyl] tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CN
InChIInChI=1S/C19H37NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(22)24-15-17(21)16-25-19(23)14-20/h17,21H,2-16,20H2,1H3
InChIKeyRKUZQAYBWOJKGA-UHFFFAOYSA-N
MW359.51 g/mol
LogP3.09
Rot. Bonds17

About [3-(2-aminoacetyl)oxy-2-hydroxypropyl] tetradecanoate

[3-(2-aminoacetyl)oxy-2-hydroxypropyl] tetradecanoate (PubChem CID 91467511) has the molecular formula C19H37NO5 and a molecular weight of 359.51 g/mol. Its IUPAC name is [3-(2-aminoacetyl)oxy-2-hydroxypropyl] tetradecanoate.

Molecular Properties

Compound Name[3-(2-aminoacetyl)oxy-2-hydroxypropyl] tetradecanoate
PubChem CID91467511
Molecular FormulaC19H37NO5
Molecular Weight359.51 g/mol
Exact Mass359.27
IUPAC Name[3-(2-aminoacetyl)oxy-2-hydroxypropyl] tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CN
InChIInChI=1S/C19H37NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(22)24-15-17(21)16-25-19(23)14-20/h17,21H,2-16,20H2,1H3
InChIKeyRKUZQAYBWOJKGA-UHFFFAOYSA-N
XLogP3.09
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-2-hydroxy-3-octanoyloxypropyl] pentadecanoate
CID 131799748
[(2S)-2-hydroxy-3-pentadecanoyloxypropyl] icosanoate
CID 131802658
[(2S)-3-decanoyloxy-2-hydroxypropyl] nonadecanoate
CID 131799324
(3-heptadecanoyloxy-2-hydroxypropyl) heptadecanoate
CID 19753453
[(2R)-3-hexadecanoyloxy-2-hydroxypropyl] heptadecanoate
CID 131800092
[(2R)-2-hydroxy-3-pentadecanoyloxypropyl] tetracosanoate
CID 131801713
(3-heptadecanoyloxy-2-hydroxypropyl) octadecanoate
CID 178202109
[(2R)-2-hydroxy-3-pentadecanoyloxypropyl] icosanoate
CID 131800454
[(2R)-3-decanoyloxy-2-hydroxypropyl] tridecanoate
CID 131799469
[(2R)-2-hydroxy-3-nonadecanoyloxypropyl] henicosanoate
CID 131800392
[3-(2-aminoacetyl)oxy-2-hydroxypropyl] (9Z,12Z)-octadeca-9,12-dienoate
CID 171724483
2-hydroxybutyl dodecanoate
CID 22965532

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoacetyl)oxy-2-hydroxypropyl] tetradecanoate?
The IUPAC name of [3-(2-aminoacetyl)oxy-2-hydroxypropyl] tetradecanoate (CID 91467511) is [3-(2-aminoacetyl)oxy-2-hydroxypropyl] tetradecanoate.
What is the SMILES notation for [3-(2-aminoacetyl)oxy-2-hydroxypropyl] tetradecanoate?
The canonical SMILES for [3-(2-aminoacetyl)oxy-2-hydroxypropyl] tetradecanoate is CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CN.
What is the InChIKey of [3-(2-aminoacetyl)oxy-2-hydroxypropyl] tetradecanoate?
The InChIKey is RKUZQAYBWOJKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(22)24-15-17(21)16-25-19(23)14-20/h17,21H,2-16,20H2,1H3.
What are the key properties of [3-(2-aminoacetyl)oxy-2-hydroxypropyl] tetradecanoate?
[3-(2-aminoacetyl)oxy-2-hydroxypropyl] tetradecanoate has a molecular weight of 359.51 g/mol, XLogP of 3.09, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoacetyl)oxy-2-hydroxypropyl] tetradecanoate is sourced from PubChem (CID 91467511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).