methyl 3-amino-3-ethyliminopropanoate

C6H12N2O2 — CID 54193429

IUPACmethyl 3-amino-3-ethyliminopropanoate
SMILESCC/N=C(\N)CC(=O)OC
InChIInChI=1S/C6H12N2O2/c1-3-8-5(7)4-6(9)10-2/h3-4H2,1-2H3,(H2,7,8)
InChIKeyPKCIWFUWTOAONK-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.07
Rot. Bonds3

About methyl 3-amino-3-ethyliminopropanoate

methyl 3-amino-3-ethyliminopropanoate (PubChem CID 54193429) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is methyl 3-amino-3-ethyliminopropanoate.

Molecular Properties

Compound Namemethyl 3-amino-3-ethyliminopropanoate
PubChem CID54193429
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Namemethyl 3-amino-3-ethyliminopropanoate
SMILESCC/N=C(\N)CC(=O)OC
InChIInChI=1S/C6H12N2O2/c1-3-8-5(7)4-6(9)10-2/h3-4H2,1-2H3,(H2,7,8)
InChIKeyPKCIWFUWTOAONK-UHFFFAOYSA-N
XLogP-0.07
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(1-Aminoethylideneamino)propanoic acid
CID 23196095
Methyl carbamimidoyl acetate
CID 12716915
N-(2-carboxyethyl)-2-methylpropionamidine
CID 18510056
Methyl N-(2-amino-2-iminoethanimidoyl)-beta-alaninate
CID 10610339
Ethyl 3-amino-3-ethyliminopropanoate
CID 14050989
Ethyl 3-methylamino-3-iminopropionate Hydrochloride
CID 20567864
Ethyl 3-imino-3-(methylamino)propanoate
CID 20567865
Methyl 3-amino-3-cyclobutyliminopropanoate
CID 53719018
Ethyl 3-amino-3-propan-2-yliminopropanoate
CID 53780830
Methyl 3-amino-3-methyliminopropanoate
CID 53906015
Methyl 3-amino-3-propyliminopropanoate
CID 53922408
Butyl 3-amino-3-ethyliminopropanoate
CID 53937057

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-3-ethyliminopropanoate?
The IUPAC name of methyl 3-amino-3-ethyliminopropanoate (CID 54193429) is methyl 3-amino-3-ethyliminopropanoate.
What is the SMILES notation for methyl 3-amino-3-ethyliminopropanoate?
The canonical SMILES for methyl 3-amino-3-ethyliminopropanoate is CC/N=C(\N)CC(=O)OC.
What is the InChIKey of methyl 3-amino-3-ethyliminopropanoate?
The InChIKey is PKCIWFUWTOAONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-3-8-5(7)4-6(9)10-2/h3-4H2,1-2H3,(H2,7,8).
What are the key properties of methyl 3-amino-3-ethyliminopropanoate?
methyl 3-amino-3-ethyliminopropanoate has a molecular weight of 144.17 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-3-ethyliminopropanoate is sourced from PubChem (CID 54193429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).