methyl 2-ethoxycarbonyliminoacetate;hydrochloride

C6H10ClNO4 — CID 88802258

IUPACmethyl 2-ethoxycarbonyliminoacetate;hydrochloride
SMILESCCOC(=O)N=CC(=O)OC.Cl
InChIInChI=1S/C6H9NO4.ClH/c1-3-11-6(9)7-4-5(8)10-2;/h4H,3H2,1-2H3;1H
InChIKeyUENBHKLMGCPACP-UHFFFAOYSA-N
MW195.60 g/mol
LogP0.81
Rot. Bonds2

About methyl 2-ethoxycarbonyliminoacetate;hydrochloride

methyl 2-ethoxycarbonyliminoacetate;hydrochloride (PubChem CID 88802258) has the molecular formula C6H10ClNO4 and a molecular weight of 195.60 g/mol. Its IUPAC name is methyl 2-ethoxycarbonyliminoacetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-ethoxycarbonyliminoacetate;hydrochloride
PubChem CID88802258
Molecular FormulaC6H10ClNO4
Molecular Weight195.60 g/mol
Exact Mass195.03
IUPAC Namemethyl 2-ethoxycarbonyliminoacetate;hydrochloride
SMILESCCOC(=O)N=CC(=O)OC.Cl
InChIInChI=1S/C6H9NO4.ClH/c1-3-11-6(9)7-4-5(8)10-2;/h4H,3H2,1-2H3;1H
InChIKeyUENBHKLMGCPACP-UHFFFAOYSA-N
XLogP0.81
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.60
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethyl (E)-2-[(2-ethoxy-2-oxoethylidene)amino]but-2-enedioate
CID 177437542
ethyl N-(2-hydroxyethylidene)carbamate
CID 173009776
methyl (E)-3-(ethoxycarbonyldiazenyl)pent-2-enoate
CID 102575552
ethyl 2-phenylmethoxycarbonyliminoacetate
CID 71407437
ethyl N-[2-(ethoxycarbonylamino)ethylidene]carbamate
CID 91598315
ethyl N-(3-hydroxypropylidene)carbamate
CID 173139500
ethyl N-but-2-enylidenecarbamate
CID 123386584
ethyl (NE)-N-ethoxycarbonyliminocarbamate
CID 5462977
CID 175796855
CID 175796855
6-O-ethyl 1-O-methyl (2E,4E)-hexa-2,4-dienedioate
CID 87458458
ethyl (NZ)-N-[amino(methoxy)methylidene]carbamate
CID 22756468
1-O-ethyl 4-O-methyl (E)-2,3-dideuteriobut-2-enedioate
CID 138978817

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethoxycarbonyliminoacetate;hydrochloride?
The IUPAC name of methyl 2-ethoxycarbonyliminoacetate;hydrochloride (CID 88802258) is methyl 2-ethoxycarbonyliminoacetate;hydrochloride.
What is the SMILES notation for methyl 2-ethoxycarbonyliminoacetate;hydrochloride?
The canonical SMILES for methyl 2-ethoxycarbonyliminoacetate;hydrochloride is CCOC(=O)N=CC(=O)OC.Cl.
What is the InChIKey of methyl 2-ethoxycarbonyliminoacetate;hydrochloride?
The InChIKey is UENBHKLMGCPACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4.ClH/c1-3-11-6(9)7-4-5(8)10-2;/h4H,3H2,1-2H3;1H.
What are the key properties of methyl 2-ethoxycarbonyliminoacetate;hydrochloride?
methyl 2-ethoxycarbonyliminoacetate;hydrochloride has a molecular weight of 195.60 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethoxycarbonyliminoacetate;hydrochloride is sourced from PubChem (CID 88802258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).