CID 135044119

C14H20NO4 — CID 135044119

IUPAC—
SMILESCCOC(=O)C1=C(C)[N]C(C)=C(C(=O)OCC)C1C
InChIInChI=1S/C14H20NO4/c1-6-18-13(16)11-8(3)12(14(17)19-7-2)10(5)15-9(11)4/h8H,6-7H2,1-5H3
InChIKeyIXJHAJAYTVARRC-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.91
Rot. Bonds4

About CID 135044119

CID 135044119 (PubChem CID 135044119) has the molecular formula C14H20NO4 and a molecular weight of 266.32 g/mol.

Molecular Properties

Compound NameCID 135044119
PubChem CID135044119
Molecular FormulaC14H20NO4
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name—
SMILESCCOC(=O)C1=C(C)[N]C(C)=C(C(=O)OCC)C1C
InChIInChI=1S/C14H20NO4/c1-6-18-13(16)11-8(3)12(14(17)19-7-2)10(5)15-9(11)4/h8H,6-7H2,1-5H3
InChIKeyIXJHAJAYTVARRC-UHFFFAOYSA-N
XLogP1.91
TPSA66.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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tetraethyl (1S,4R,7S,10R)-13,14-dioxapentacyclo[8.2.1.14,7.02,9.03,8]tetradeca-5,11-diene-5,6,11,12-tetracarboxylate
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ethyl 3-ethyl-2-hydroxy-6-methylcyclohexa-1,4-diene-1-carboxylate
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diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
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diethyl (1S,3S,4S,5R,8S,9S,10R)-11,12-diethylpentacyclo[6.4.0.02,5.03,10.04,9]dodeca-6,11-diene-6,7-dicarboxylate
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4-O-ethyl 2-O-methyl 6-chloro-5-methylpyrimidine-2,4-dicarboxylate
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tetraethyl 1,4-dihydropyrazine-2,3,5,6-tetracarboxylate
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ethyl 4-ethyl-2-methyl-1,4-dihydropyridine-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of CID 135044119?
The IUPAC name of CID 135044119 (CID 135044119) is not available.
What is the SMILES notation for CID 135044119?
The canonical SMILES for CID 135044119 is CCOC(=O)C1=C(C)[N]C(C)=C(C(=O)OCC)C1C.
What is the InChIKey of CID 135044119?
The InChIKey is IXJHAJAYTVARRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20NO4/c1-6-18-13(16)11-8(3)12(14(17)19-7-2)10(5)15-9(11)4/h8H,6-7H2,1-5H3.
What are the key properties of CID 135044119?
CID 135044119 has a molecular weight of 266.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135044119 is sourced from PubChem (CID 135044119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).