methylamino 2-aminoprop-2-enoate

C4H8N2O2 — CID 155065198

IUPACmethylamino 2-aminoprop-2-enoate
SMILESC=C(N)C(=O)ONC
InChIInChI=1S/C4H8N2O2/c1-3(5)4(7)8-6-2/h6H,1,5H2,2H3
InChIKeyFYTCIAPQUVJYOK-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.86
Rot. Bonds2

About methylamino 2-aminoprop-2-enoate

methylamino 2-aminoprop-2-enoate (PubChem CID 155065198) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is methylamino 2-aminoprop-2-enoate.

Molecular Properties

Compound Namemethylamino 2-aminoprop-2-enoate
PubChem CID155065198
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Namemethylamino 2-aminoprop-2-enoate
SMILESC=C(N)C(=O)ONC
InChIInChI=1S/C4H8N2O2/c1-3(5)4(7)8-6-2/h6H,1,5H2,2H3
InChIKeyFYTCIAPQUVJYOK-UHFFFAOYSA-N
XLogP-0.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

chloromethane;methylamino 2-methylidenebutanoate
CID 159451589
acetamide;2-methoxyprop-1-ene;2-methylprop-1-ene
CID 165093716
(2-aminoprop-2-enoyloxyamino) (Z)-2-amino-3-(2-aminoprop-2-enoyloxyamino)prop-2-enoate
CID 163884154
methylamino 3,3-dimethoxy-2-methylprop-2-enoate
CID 174299491
methylurea;ruthenium
CID 159209634
N-methylmethanamine;2-methylprop-2-enamide
CID 87110078
methylamino carbonofluoridate
CID 143060000
2-aminoprop-2-enamide
CID 3332061
(2-carbamoylhydrazinyl) 2-methylprop-2-enoate
CID 174983708
2-trimethylsilylprop-2-enamide
CID 10351809
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239
methylhydrazine;2-methylprop-1-ene
CID 142046477

Frequently Asked Questions

What is the IUPAC name of methylamino 2-aminoprop-2-enoate?
The IUPAC name of methylamino 2-aminoprop-2-enoate (CID 155065198) is methylamino 2-aminoprop-2-enoate.
What is the SMILES notation for methylamino 2-aminoprop-2-enoate?
The canonical SMILES for methylamino 2-aminoprop-2-enoate is C=C(N)C(=O)ONC.
What is the InChIKey of methylamino 2-aminoprop-2-enoate?
The InChIKey is FYTCIAPQUVJYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-3(5)4(7)8-6-2/h6H,1,5H2,2H3.
What are the key properties of methylamino 2-aminoprop-2-enoate?
methylamino 2-aminoprop-2-enoate has a molecular weight of 116.12 g/mol, XLogP of -0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino 2-aminoprop-2-enoate is sourced from PubChem (CID 155065198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).