2-(2-octanoyloxyethylamino)acetic acid

C12H23NO4 — CID 155435320

IUPAC2-(2-octanoyloxyethylamino)acetic acid
SMILESCCCCCCCC(=O)OCCNCC(=O)O
InChIInChI=1S/C12H23NO4/c1-2-3-4-5-6-7-12(16)17-9-8-13-10-11(14)15/h13H,2-10H2,1H3,(H,14,15)
InChIKeySPBMAMLMHITWOG-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.56
Rot. Bonds11

About 2-(2-octanoyloxyethylamino)acetic acid

2-(2-octanoyloxyethylamino)acetic acid (PubChem CID 155435320) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(2-octanoyloxyethylamino)acetic acid.

Molecular Properties

Compound Name2-(2-octanoyloxyethylamino)acetic acid
PubChem CID155435320
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name2-(2-octanoyloxyethylamino)acetic acid
SMILESCCCCCCCC(=O)OCCNCC(=O)O
InChIInChI=1S/C12H23NO4/c1-2-3-4-5-6-7-12(16)17-9-8-13-10-11(14)15/h13H,2-10H2,1H3,(H,14,15)
InChIKeySPBMAMLMHITWOG-UHFFFAOYSA-N
XLogP1.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.56
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

2-(2-nonanoyloxyethylamino)ethyl nonanoate
CID 101278322
2-(ethylamino)ethyl tetradecanoate
CID 22321443
8-[(8-nonoxy-8-oxooctyl)amino]octanoic acid
CID 151935733
17-tetradecanoyloxyheptadecanoic acid
CID 170564356
12-hexadecoxy-12-oxododecanoic acid
CID 174602143
6-octadecanoyloxyhexyl octadecanoate;pentacontanedioic acid
CID 175973785
9-dodecanoyloxynonanoic acid
CID 57012340
octadecakis(decanoic acid);bis(tridecyl decanoate)
CID 174050313
6-heptoxy-6-oxohexanoic acid;hexanedioic acid
CID 158770856
nonadecakis(decanoic acid);heptadecyl decanoate
CID 175591472
octadecanoic acid;octyl octanoate
CID 160923684
6-octacosoxy-6-oxohexanoic acid
CID 154142951

Frequently Asked Questions

What is the IUPAC name of 2-(2-octanoyloxyethylamino)acetic acid?
The IUPAC name of 2-(2-octanoyloxyethylamino)acetic acid (CID 155435320) is 2-(2-octanoyloxyethylamino)acetic acid.
What is the SMILES notation for 2-(2-octanoyloxyethylamino)acetic acid?
The canonical SMILES for 2-(2-octanoyloxyethylamino)acetic acid is CCCCCCCC(=O)OCCNCC(=O)O.
What is the InChIKey of 2-(2-octanoyloxyethylamino)acetic acid?
The InChIKey is SPBMAMLMHITWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-2-3-4-5-6-7-12(16)17-9-8-13-10-11(14)15/h13H,2-10H2,1H3,(H,14,15).
What are the key properties of 2-(2-octanoyloxyethylamino)acetic acid?
2-(2-octanoyloxyethylamino)acetic acid has a molecular weight of 245.32 g/mol, XLogP of 1.56, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-octanoyloxyethylamino)acetic acid is sourced from PubChem (CID 155435320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).