[3-(2-aminoethylamino)-2-hydroxypropyl] 2,2-dimethylbutanoate

C11H24N2O3 — CID 153430114

IUPAC[3-(2-aminoethylamino)-2-hydroxypropyl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC(O)CNCCN
InChIInChI=1S/C11H24N2O3/c1-4-11(2,3)10(15)16-8-9(14)7-13-6-5-12/h9,13-14H,4-8,12H2,1-3H3
InChIKeyVMGIUQUPRVVQCP-UHFFFAOYSA-N
MW232.32 g/mol
LogP-0.12
Rot. Bonds8

About [3-(2-aminoethylamino)-2-hydroxypropyl] 2,2-dimethylbutanoate

[3-(2-aminoethylamino)-2-hydroxypropyl] 2,2-dimethylbutanoate (PubChem CID 153430114) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is [3-(2-aminoethylamino)-2-hydroxypropyl] 2,2-dimethylbutanoate.

Molecular Properties

Compound Name[3-(2-aminoethylamino)-2-hydroxypropyl] 2,2-dimethylbutanoate
PubChem CID153430114
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name[3-(2-aminoethylamino)-2-hydroxypropyl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC(O)CNCCN
InChIInChI=1S/C11H24N2O3/c1-4-11(2,3)10(15)16-8-9(14)7-13-6-5-12/h9,13-14H,4-8,12H2,1-3H3
InChIKeyVMGIUQUPRVVQCP-UHFFFAOYSA-N
XLogP-0.12
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-hydroxy-3-(methylcarbamoylamino)propyl] 2,2-dimethylbutanoate
CID 134215853
ethane-1,2-diamine;1-O-hexyl 5-O-[2-hydroxy-3-[2-(methylamino)ethylamino]propyl] 2-ethyl-2,4,4-trimethylpentanedioate
CID 91455357
(2-hydroxy-3-propanoyloxypropyl) 2,2-dimethylbutanoate
CID 140925910
[3-(5-aminohexylamino)-2-hydroxypropyl] 2,2-dimethylundecanoate
CID 57084679
[3-(2,3-dihydroxypropoxy)-2-hydroxypropyl] 2,2-dimethylbutanoate
CID 162488757
[3-(2,3-dihydroxypropanoyloxy)-2-hydroxypropyl] 2,2-dimethylbutanoate
CID 155624591
[2-hydroxy-3-(3-trimethoxysilylpropylamino)propyl] 2-methyl-2-propylhexanoate
CID 140930187
1-O-hexyl 5-O-[2-hydroxy-3-[2-(methylamino)ethylamino]propyl] 2-ethyl-2,4,4-trimethylpentanedioate;1-O-hexyl 5-O-(oxiran-2-ylmethyl) 2-ethyl-2,4,4-trimethylpentanedioate;N'-methylethane-1,2-diamine
CID 158342239
1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 62141108
(2R)-1-(2-aminoethylamino)-3-butoxypropan-2-ol
CID 92574092
1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-propoxypropan-2-ol
CID 132934310
[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] benzoate
CID 54296810

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethylamino)-2-hydroxypropyl] 2,2-dimethylbutanoate?
The IUPAC name of [3-(2-aminoethylamino)-2-hydroxypropyl] 2,2-dimethylbutanoate (CID 153430114) is [3-(2-aminoethylamino)-2-hydroxypropyl] 2,2-dimethylbutanoate.
What is the SMILES notation for [3-(2-aminoethylamino)-2-hydroxypropyl] 2,2-dimethylbutanoate?
The canonical SMILES for [3-(2-aminoethylamino)-2-hydroxypropyl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCC(O)CNCCN.
What is the InChIKey of [3-(2-aminoethylamino)-2-hydroxypropyl] 2,2-dimethylbutanoate?
The InChIKey is VMGIUQUPRVVQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-4-11(2,3)10(15)16-8-9(14)7-13-6-5-12/h9,13-14H,4-8,12H2,1-3H3.
What are the key properties of [3-(2-aminoethylamino)-2-hydroxypropyl] 2,2-dimethylbutanoate?
[3-(2-aminoethylamino)-2-hydroxypropyl] 2,2-dimethylbutanoate has a molecular weight of 232.32 g/mol, XLogP of -0.12, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethylamino)-2-hydroxypropyl] 2,2-dimethylbutanoate is sourced from PubChem (CID 153430114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).