methyl 3-amino-2-(methyliminomethyl)prop-2-enoate

C6H10N2O2 — CID 152783234

IUPACmethyl 3-amino-2-(methyliminomethyl)prop-2-enoate
SMILESC/N=C/C(=CN)C(=O)OC
InChIInChI=1S/C6H10N2O2/c1-8-4-5(3-7)6(9)10-2/h3-4H,7H2,1-2H3/b5-3?,8-4+
InChIKeyIBMMKBXPOZYLCO-ZDUSDAAASA-N
MW142.16 g/mol
LogP-0.30
Rot. Bonds2

About methyl 3-amino-2-(methyliminomethyl)prop-2-enoate

methyl 3-amino-2-(methyliminomethyl)prop-2-enoate (PubChem CID 152783234) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is methyl 3-amino-2-(methyliminomethyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-amino-2-(methyliminomethyl)prop-2-enoate
PubChem CID152783234
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Namemethyl 3-amino-2-(methyliminomethyl)prop-2-enoate
SMILESC/N=C/C(=CN)C(=O)OC
InChIInChI=1S/C6H10N2O2/c1-8-4-5(3-7)6(9)10-2/h3-4H,7H2,1-2H3/b5-3?,8-4+
InChIKeyIBMMKBXPOZYLCO-ZDUSDAAASA-N
XLogP-0.30
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 3-amino-2-nitroprop-2-enoate
CID 23278656
dimethyl oxalate
CID 11120
methyl (E)-2-formylbut-2-enoate
CID 13359377
methyl (Z)-3-(methoxymethyl)-2-(methyliminomethyl)pent-2-enoate
CID 170745847
methyl (Z)-3-amino-2-cyanoprop-2-enoate
CID 102484280
2-N-methyl-3-methyliminoprop-1-ene-1,2-diamine
CID 146703822
methyl (E)-3-hydroxy-2-[3-[[(E)-3-hydroxy-2-methoxycarbonylprop-2-enylidene]amino]propyliminomethyl]prop-2-enoate
CID 177489162
dimethyl oxalate;hydrochloride
CID 172754902
(2E)-2-(methyliminomethyl)penta-2,4-dienamide
CID 143715674
methyl 3,4-diamino-2-propan-2-yliminobut-3-enoate
CID 174027951
methyl 2-(methylideneamino)-2-methyliminoacetate
CID 144794010
methyl (E)-2-aminobut-2-enoate
CID 19894054

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-(methyliminomethyl)prop-2-enoate?
The IUPAC name of methyl 3-amino-2-(methyliminomethyl)prop-2-enoate (CID 152783234) is methyl 3-amino-2-(methyliminomethyl)prop-2-enoate.
What is the SMILES notation for methyl 3-amino-2-(methyliminomethyl)prop-2-enoate?
The canonical SMILES for methyl 3-amino-2-(methyliminomethyl)prop-2-enoate is C/N=C/C(=CN)C(=O)OC.
What is the InChIKey of methyl 3-amino-2-(methyliminomethyl)prop-2-enoate?
The InChIKey is IBMMKBXPOZYLCO-ZDUSDAAASA-N. The full InChI is InChI=1S/C6H10N2O2/c1-8-4-5(3-7)6(9)10-2/h3-4H,7H2,1-2H3/b5-3?,8-4+.
What are the key properties of methyl 3-amino-2-(methyliminomethyl)prop-2-enoate?
methyl 3-amino-2-(methyliminomethyl)prop-2-enoate has a molecular weight of 142.16 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-(methyliminomethyl)prop-2-enoate is sourced from PubChem (CID 152783234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).