ethyl 3-carbamoylimino-2-methoxypropanoate

C7H12N2O4 — CID 57059916

IUPACethyl 3-carbamoylimino-2-methoxypropanoate
SMILESCCOC(=O)C(C=NC(N)=O)OC
InChIInChI=1S/C7H12N2O4/c1-3-13-6(10)5(12-2)4-9-7(8)11/h4-5H,3H2,1-2H3,(H2,8,11)
InChIKeyHBTKQIRQCLZHRV-UHFFFAOYSA-N
MW188.18 g/mol
LogP-0.29
Rot. Bonds4

About ethyl 3-carbamoylimino-2-methoxypropanoate

ethyl 3-carbamoylimino-2-methoxypropanoate (PubChem CID 57059916) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is ethyl 3-carbamoylimino-2-methoxypropanoate.

Molecular Properties

Compound Nameethyl 3-carbamoylimino-2-methoxypropanoate
PubChem CID57059916
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Nameethyl 3-carbamoylimino-2-methoxypropanoate
SMILESCCOC(=O)C(C=NC(N)=O)OC
InChIInChI=1S/C7H12N2O4/c1-3-13-6(10)5(12-2)4-9-7(8)11/h4-5H,3H2,1-2H3,(H2,8,11)
InChIKeyHBTKQIRQCLZHRV-UHFFFAOYSA-N
XLogP-0.29
TPSA90.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethylideneurea;ethyl 2-methylprop-2-enoate
CID 175474375
dimethyl 2-[[(3-ethoxy-2-ethoxycarbonyl-3-oxopropylidene)hydrazinylidene]methyl]propanedioate
CID 56607207
ethyl 2-methoxybutanoate
CID 59767959
ethyl 2-[[amino-(propan-2-ylamino)methylidene]amino]propanoate
CID 62362250
acetaldehyde;ethyl carbamate
CID 23340289
ethyl 3-hydroxy-2-methoxypropanoate
CID 152667160
1-O-ethyl 3-O-methyl (2S)-2-methoxypropanedioate
CID 97304780
ethyl 2-(methylamino)-4-oxobutanoate
CID 145228105
ethyl 2-methylpent-3-enoate
CID 53428586
diethyl 2-carbamoylbutanedioate
CID 88798137
ethyl 2,3-dimethylpentanoate
CID 55255239
ethyl (Z)-3-amino-2-(ethylideneamino)but-2-enoate
CID 143409146

Frequently Asked Questions

What is the IUPAC name of ethyl 3-carbamoylimino-2-methoxypropanoate?
The IUPAC name of ethyl 3-carbamoylimino-2-methoxypropanoate (CID 57059916) is ethyl 3-carbamoylimino-2-methoxypropanoate.
What is the SMILES notation for ethyl 3-carbamoylimino-2-methoxypropanoate?
The canonical SMILES for ethyl 3-carbamoylimino-2-methoxypropanoate is CCOC(=O)C(C=NC(N)=O)OC.
What is the InChIKey of ethyl 3-carbamoylimino-2-methoxypropanoate?
The InChIKey is HBTKQIRQCLZHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4/c1-3-13-6(10)5(12-2)4-9-7(8)11/h4-5H,3H2,1-2H3,(H2,8,11).
What are the key properties of ethyl 3-carbamoylimino-2-methoxypropanoate?
ethyl 3-carbamoylimino-2-methoxypropanoate has a molecular weight of 188.18 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-carbamoylimino-2-methoxypropanoate is sourced from PubChem (CID 57059916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).