ethyl 2-[(2-hex-5-enoxy-2-oxoethyl)amino]-2-oxoacetate

C12H19NO5 — CID 86683904

IUPACethyl 2-[(2-hex-5-enoxy-2-oxoethyl)amino]-2-oxoacetate
SMILESC=CCCCCOC(=O)CNC(=O)C(=O)OCC
InChIInChI=1S/C12H19NO5/c1-3-5-6-7-8-18-10(14)9-13-11(15)12(16)17-4-2/h3H,1,4-9H2,2H3,(H,13,15)
InChIKeyFKZCJUZAVSQWNQ-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.57
Rot. Bonds8

About ethyl 2-[(2-hex-5-enoxy-2-oxoethyl)amino]-2-oxoacetate

ethyl 2-[(2-hex-5-enoxy-2-oxoethyl)amino]-2-oxoacetate (PubChem CID 86683904) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is ethyl 2-[(2-hex-5-enoxy-2-oxoethyl)amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[(2-hex-5-enoxy-2-oxoethyl)amino]-2-oxoacetate
PubChem CID86683904
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Nameethyl 2-[(2-hex-5-enoxy-2-oxoethyl)amino]-2-oxoacetate
SMILESC=CCCCCOC(=O)CNC(=O)C(=O)OCC
InChIInChI=1S/C12H19NO5/c1-3-5-6-7-8-18-10(14)9-13-11(15)12(16)17-4-2/h3H,1,4-9H2,2H3,(H,13,15)
InChIKeyFKZCJUZAVSQWNQ-UHFFFAOYSA-N
XLogP0.57
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-2-[(2-oxo-2-pent-4-enoxyethyl)amino]acetic acid
CID 123791715
ethyl hex-5-enyl carbonate
CID 45140691
1-O-ethyl 5-O-pent-4-enyl pentanedioate
CID 91718034
ethyl 2-(hex-5-enylamino)acetate
CID 10867857
ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoacetate
CID 91619483
hept-6-enyl nonanoate
CID 146588194
heptyl hept-6-enoate
CID 129220829
hex-5-enyl decanoate
CID 166881880
hexyl oct-7-enoate
CID 91748282
hept-6-enyl hexacosanoate
CID 102118795
ethyl 2-hept-6-enoxyacetate
CID 131980625
1-O-heptadecyl 5-O-pent-4-enyl pentanedioate
CID 91706418

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-hex-5-enoxy-2-oxoethyl)amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[(2-hex-5-enoxy-2-oxoethyl)amino]-2-oxoacetate (CID 86683904) is ethyl 2-[(2-hex-5-enoxy-2-oxoethyl)amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[(2-hex-5-enoxy-2-oxoethyl)amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[(2-hex-5-enoxy-2-oxoethyl)amino]-2-oxoacetate is C=CCCCCOC(=O)CNC(=O)C(=O)OCC.
What is the InChIKey of ethyl 2-[(2-hex-5-enoxy-2-oxoethyl)amino]-2-oxoacetate?
The InChIKey is FKZCJUZAVSQWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c1-3-5-6-7-8-18-10(14)9-13-11(15)12(16)17-4-2/h3H,1,4-9H2,2H3,(H,13,15).
What are the key properties of ethyl 2-[(2-hex-5-enoxy-2-oxoethyl)amino]-2-oxoacetate?
ethyl 2-[(2-hex-5-enoxy-2-oxoethyl)amino]-2-oxoacetate has a molecular weight of 257.29 g/mol, XLogP of 0.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-hex-5-enoxy-2-oxoethyl)amino]-2-oxoacetate is sourced from PubChem (CID 86683904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).