amino prop-2-enoate;N,N-dimethylmethanamine

C6H14N2O2 — CID 174521211

IUPACamino prop-2-enoate;N,N-dimethylmethanamine
SMILESC=CC(=O)ON.CN(C)C
InChIInChI=1S/C3H5NO2.C3H9N/c1-2-3(5)6-4;1-4(2)3/h2H,1,4H2;1-3H3
InChIKeyRBHUDVFIWVJVHT-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.23
Rot. Bonds1

About amino prop-2-enoate;N,N-dimethylmethanamine

amino prop-2-enoate;N,N-dimethylmethanamine (PubChem CID 174521211) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is amino prop-2-enoate;N,N-dimethylmethanamine.

Molecular Properties

Compound Nameamino prop-2-enoate;N,N-dimethylmethanamine
PubChem CID174521211
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Nameamino prop-2-enoate;N,N-dimethylmethanamine
SMILESC=CC(=O)ON.CN(C)C
InChIInChI=1S/C3H5NO2.C3H9N/c1-2-3(5)6-4;1-4(2)3/h2H,1,4H2;1-3H3
InChIKeyRBHUDVFIWVJVHT-UHFFFAOYSA-N
XLogP-0.23
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
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

amino prop-2-enoate;hydrofluoride
CID 174948745
amino prop-2-enoate;sulfanylidenecopper
CID 174997703
2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine
CID 172733974
dimethylamino prop-2-enoate
CID 20697927
2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine;hydroiodide
CID 175248115
azane;dimethylamino prop-2-enoate
CID 162313992
N,N-dimethylmethanamine;prop-2-enoic acid
CID 87439346
N,N-dimethylmethanamine;1-iodoethyl prop-2-enoate
CID 87224963
amino prop-2-eneperoxoate
CID 54317531
N,N-dimethylmethanamine;prop-2-enoic acid;hydrochloride
CID 87893853
11-bromoundecyl prop-2-enoate;N,N-dimethylmethanamine
CID 135146365
(3-chloro-2-hydroxypropyl) prop-2-enoate;N,N-dimethylmethanamine
CID 87225254

Frequently Asked Questions

What is the IUPAC name of amino prop-2-enoate;N,N-dimethylmethanamine?
The IUPAC name of amino prop-2-enoate;N,N-dimethylmethanamine (CID 174521211) is amino prop-2-enoate;N,N-dimethylmethanamine.
What is the SMILES notation for amino prop-2-enoate;N,N-dimethylmethanamine?
The canonical SMILES for amino prop-2-enoate;N,N-dimethylmethanamine is C=CC(=O)ON.CN(C)C.
What is the InChIKey of amino prop-2-enoate;N,N-dimethylmethanamine?
The InChIKey is RBHUDVFIWVJVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO2.C3H9N/c1-2-3(5)6-4;1-4(2)3/h2H,1,4H2;1-3H3.
What are the key properties of amino prop-2-enoate;N,N-dimethylmethanamine?
amino prop-2-enoate;N,N-dimethylmethanamine has a molecular weight of 146.19 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino prop-2-enoate;N,N-dimethylmethanamine is sourced from PubChem (CID 174521211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).