dimethyl 3-(N-methoxy-C-methylcarbonimidoyl)pentanedioate

C10H17NO5 — CID 91749505

IUPACdimethyl 3-(N-methoxy-C-methylcarbonimidoyl)pentanedioate
SMILESCON=C(C)C(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C10H17NO5/c1-7(11-16-4)8(5-9(12)14-2)6-10(13)15-3/h8H,5-6H2,1-4H3
InChIKeyAVOMEVHBSCRYKB-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.75
Rot. Bonds6

About dimethyl 3-(N-methoxy-C-methylcarbonimidoyl)pentanedioate

dimethyl 3-(N-methoxy-C-methylcarbonimidoyl)pentanedioate (PubChem CID 91749505) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is dimethyl 3-(N-methoxy-C-methylcarbonimidoyl)pentanedioate.

Molecular Properties

Compound Namedimethyl 3-(N-methoxy-C-methylcarbonimidoyl)pentanedioate
PubChem CID91749505
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Namedimethyl 3-(N-methoxy-C-methylcarbonimidoyl)pentanedioate
SMILESCON=C(C)C(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C10H17NO5/c1-7(11-16-4)8(5-9(12)14-2)6-10(13)15-3/h8H,5-6H2,1-4H3
InChIKeyAVOMEVHBSCRYKB-UHFFFAOYSA-N
XLogP0.75
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 3-(N-methoxy-C-methylcarbonimidoyl)pentanedioate?
The IUPAC name of dimethyl 3-(N-methoxy-C-methylcarbonimidoyl)pentanedioate (CID 91749505) is dimethyl 3-(N-methoxy-C-methylcarbonimidoyl)pentanedioate.
What is the SMILES notation for dimethyl 3-(N-methoxy-C-methylcarbonimidoyl)pentanedioate?
The canonical SMILES for dimethyl 3-(N-methoxy-C-methylcarbonimidoyl)pentanedioate is CON=C(C)C(CC(=O)OC)CC(=O)OC.
What is the InChIKey of dimethyl 3-(N-methoxy-C-methylcarbonimidoyl)pentanedioate?
The InChIKey is AVOMEVHBSCRYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-7(11-16-4)8(5-9(12)14-2)6-10(13)15-3/h8H,5-6H2,1-4H3.
What are the key properties of dimethyl 3-(N-methoxy-C-methylcarbonimidoyl)pentanedioate?
dimethyl 3-(N-methoxy-C-methylcarbonimidoyl)pentanedioate has a molecular weight of 231.25 g/mol, XLogP of 0.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-(N-methoxy-C-methylcarbonimidoyl)pentanedioate is sourced from PubChem (CID 91749505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).