hex-5-en-2-yl 2-(trideuteriomethylamino)acetate

C9H17NO2 — CID 155760043

IUPAChex-5-en-2-yl 2-(trideuteriomethylamino)acetate
SMILES[2H]C([2H])([2H])NCC(=O)OC(C)CCC=C
InChIInChI=1S/C9H17NO2/c1-4-5-6-8(2)12-9(11)7-10-3/h4,8,10H,1,5-7H2,2-3H3/i3D3
InChIKeyHMRPUSZWBNNVOY-HPRDVNIFSA-N
MW174.26 g/mol
LogP1.10
Rot. Bonds7

About hex-5-en-2-yl 2-(trideuteriomethylamino)acetate

hex-5-en-2-yl 2-(trideuteriomethylamino)acetate (PubChem CID 155760043) has the molecular formula C9H17NO2 and a molecular weight of 174.26 g/mol. Its IUPAC name is hex-5-en-2-yl 2-(trideuteriomethylamino)acetate.

Molecular Properties

Compound Namehex-5-en-2-yl 2-(trideuteriomethylamino)acetate
PubChem CID155760043
Molecular FormulaC9H17NO2
Molecular Weight174.26 g/mol
Exact Mass174.14
IUPAC Namehex-5-en-2-yl 2-(trideuteriomethylamino)acetate
SMILES[2H]C([2H])([2H])NCC(=O)OC(C)CCC=C
InChIInChI=1S/C9H17NO2/c1-4-5-6-8(2)12-9(11)7-10-3/h4,8,10H,1,5-7H2,2-3H3/i3D3
InChIKeyHMRPUSZWBNNVOY-HPRDVNIFSA-N
XLogP1.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hex-5-en-2-yl 2-iodoacetate
CID 11065424
oct-7-en-2-yl 2-hydroxyacetate
CID 87314552
3-oxo-3-undec-10-en-2-yloxypropanoic acid
CID 54309534
methyl 5-(methylamino)non-8-en-2-yl carbonate
CID 144632305
butan-2-yl pent-4-enoate
CID 58193499
methyl 3-methylhept-6-enoate
CID 19865945
[(2S)-hex-5-en-2-yl] 2-[(2R,3S,6R)-3-ethoxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]acetate
CID 71818670
1-ethoxypropan-2-yl 2-(methylamino)acetate
CID 103489136
methyl 3-methyltetradec-13-enoate
CID 22752955
methyl (3R)-3-methyltridec-12-enoate
CID 52912715
pent-1-en-3-yl 2-(methylamino)acetate
CID 170207067
6-methylhept-5-en-2-yl propanoate
CID 3020294

Frequently Asked Questions

What is the IUPAC name of hex-5-en-2-yl 2-(trideuteriomethylamino)acetate?
The IUPAC name of hex-5-en-2-yl 2-(trideuteriomethylamino)acetate (CID 155760043) is hex-5-en-2-yl 2-(trideuteriomethylamino)acetate.
What is the SMILES notation for hex-5-en-2-yl 2-(trideuteriomethylamino)acetate?
The canonical SMILES for hex-5-en-2-yl 2-(trideuteriomethylamino)acetate is [2H]C([2H])([2H])NCC(=O)OC(C)CCC=C.
What is the InChIKey of hex-5-en-2-yl 2-(trideuteriomethylamino)acetate?
The InChIKey is HMRPUSZWBNNVOY-HPRDVNIFSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-5-6-8(2)12-9(11)7-10-3/h4,8,10H,1,5-7H2,2-3H3/i3D3.
What are the key properties of hex-5-en-2-yl 2-(trideuteriomethylamino)acetate?
hex-5-en-2-yl 2-(trideuteriomethylamino)acetate has a molecular weight of 174.26 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hex-5-en-2-yl 2-(trideuteriomethylamino)acetate is sourced from PubChem (CID 155760043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).