2-ethylhexyl 2-aminoacetate;sulfuric acid

C10H23NO6S — CID 174848868

IUPAC2-ethylhexyl 2-aminoacetate;sulfuric acid
SMILESCCCCC(CC)COC(=O)CN.O=S(=O)(O)O
InChIInChI=1S/C10H21NO2.H2O4S/c1-3-5-6-9(4-2)8-13-10(12)7-11;1-5(2,3)4/h9H,3-8,11H2,1-2H3;(H2,1,2,3,4)
InChIKeyBZEYTLNGCAASLT-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.05
Rot. Bonds7

About 2-ethylhexyl 2-aminoacetate;sulfuric acid

2-ethylhexyl 2-aminoacetate;sulfuric acid (PubChem CID 174848868) has the molecular formula C10H23NO6S and a molecular weight of 285.36 g/mol. Its IUPAC name is 2-ethylhexyl 2-aminoacetate;sulfuric acid.

Molecular Properties

Compound Name2-ethylhexyl 2-aminoacetate;sulfuric acid
PubChem CID174848868
Molecular FormulaC10H23NO6S
Molecular Weight285.36 g/mol
Exact Mass285.12
IUPAC Name2-ethylhexyl 2-aminoacetate;sulfuric acid
SMILESCCCCC(CC)COC(=O)CN.O=S(=O)(O)O
InChIInChI=1S/C10H21NO2.H2O4S/c1-3-5-6-9(4-2)8-13-10(12)7-11;1-5(2,3)4/h9H,3-8,11H2,1-2H3;(H2,1,2,3,4)
InChIKeyBZEYTLNGCAASLT-UHFFFAOYSA-N
XLogP1.05
TPSA126.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

methanesulfonic acid;2-tetradecyloctadecyl 2-aminoacetate
CID 175748375
bis(2-ethylhexyl propanoate);hydroxylamine
CID 88651509
3-(2-ethylhexoxymethyl)heptane;sulfuric acid
CID 158892340
bis(2-ethylhexyl) nonanedioate
CID 7642
bis[(2R)-2-ethylhexyl] nonanedioate
CID 25113357
[2-(2-ethylhexoxy)-2-oxoethyl]azanium
CID 163684998
calcium;sodium;1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonic acid;hydride
CID 173045641
sodium 3-(2-ethylhexoxy)-3-oxopropane-1-sulfonate
CID 18716855
sodium;1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonic acid;hydride;λ2-stannane;dihydrofluoride
CID 173330805
2-ethylhexyl 3-hexylundecanoate
CID 23148711
2-ethylhexyl 2-aminopropanoate;methanesulfonic acid
CID 137379032
2-ethylhexyl 6-aminohexanoate
CID 61302097

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 2-aminoacetate;sulfuric acid?
The IUPAC name of 2-ethylhexyl 2-aminoacetate;sulfuric acid (CID 174848868) is 2-ethylhexyl 2-aminoacetate;sulfuric acid.
What is the SMILES notation for 2-ethylhexyl 2-aminoacetate;sulfuric acid?
The canonical SMILES for 2-ethylhexyl 2-aminoacetate;sulfuric acid is CCCCC(CC)COC(=O)CN.O=S(=O)(O)O.
What is the InChIKey of 2-ethylhexyl 2-aminoacetate;sulfuric acid?
The InChIKey is BZEYTLNGCAASLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2.H2O4S/c1-3-5-6-9(4-2)8-13-10(12)7-11;1-5(2,3)4/h9H,3-8,11H2,1-2H3;(H2,1,2,3,4).
What are the key properties of 2-ethylhexyl 2-aminoacetate;sulfuric acid?
2-ethylhexyl 2-aminoacetate;sulfuric acid has a molecular weight of 285.36 g/mol, XLogP of 1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 2-aminoacetate;sulfuric acid is sourced from PubChem (CID 174848868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).