2-aminoethyl 2-(methoxymethyl)prop-2-enoate

C7H13NO3 — CID 174463853

IUPAC2-aminoethyl 2-(methoxymethyl)prop-2-enoate
SMILESC=C(COC)C(=O)OCCN
InChIInChI=1S/C7H13NO3/c1-6(5-10-2)7(9)11-4-3-8/h1,3-5,8H2,2H3
InChIKeyMOWHRNWUVSPFON-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.31
Rot. Bonds5

About 2-aminoethyl 2-(methoxymethyl)prop-2-enoate

2-aminoethyl 2-(methoxymethyl)prop-2-enoate (PubChem CID 174463853) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2-aminoethyl 2-(methoxymethyl)prop-2-enoate.

Molecular Properties

Compound Name2-aminoethyl 2-(methoxymethyl)prop-2-enoate
PubChem CID174463853
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2-aminoethyl 2-(methoxymethyl)prop-2-enoate
SMILESC=C(COC)C(=O)OCCN
InChIInChI=1S/C7H13NO3/c1-6(5-10-2)7(9)11-4-3-8/h1,3-5,8H2,2H3
InChIKeyMOWHRNWUVSPFON-UHFFFAOYSA-N
XLogP-0.31
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(methoxymethyl)prop-2-enoate
CID 20770134
2-aminoethyl 2-methylidenehexanoate
CID 54444822
2-aminoethyl 2-methylprop-2-enoate;methane
CID 158487497
[3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hexyl] 2-(methoxymethyl)prop-2-enoate
CID 139680979
2-[4-[4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]phenyl]phenoxy]ethyl 2-(methoxymethyl)prop-2-enoate
CID 149008109
3-aminopropyl 2-(butoxymethyl)prop-2-enoate
CID 174450867
2-aminoethyl 2-methylprop-2-enoate;phosphoric acid
CID 86256248
hexyl 2-(2-methoxyethoxymethyl)prop-2-enoate
CID 102229803
2-aminoethyl 2-methylprop-2-enoate;methanesulfonic acid
CID 135283326
pyrimidin-2-yl 2-(methoxymethyl)prop-2-enoate
CID 175254644
2-aminoethyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 155355138
ethyl 2-(methoxymethoxymethyl)prop-2-enoate
CID 15153939

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 2-(methoxymethyl)prop-2-enoate?
The IUPAC name of 2-aminoethyl 2-(methoxymethyl)prop-2-enoate (CID 174463853) is 2-aminoethyl 2-(methoxymethyl)prop-2-enoate.
What is the SMILES notation for 2-aminoethyl 2-(methoxymethyl)prop-2-enoate?
The canonical SMILES for 2-aminoethyl 2-(methoxymethyl)prop-2-enoate is C=C(COC)C(=O)OCCN.
What is the InChIKey of 2-aminoethyl 2-(methoxymethyl)prop-2-enoate?
The InChIKey is MOWHRNWUVSPFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-6(5-10-2)7(9)11-4-3-8/h1,3-5,8H2,2H3.
What are the key properties of 2-aminoethyl 2-(methoxymethyl)prop-2-enoate?
2-aminoethyl 2-(methoxymethyl)prop-2-enoate has a molecular weight of 159.18 g/mol, XLogP of -0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl 2-(methoxymethyl)prop-2-enoate is sourced from PubChem (CID 174463853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).