2-methoxyethyl 2-(prop-2-enoylamino)acetate

C8H13NO4 — CID 54033151

IUPAC2-methoxyethyl 2-(prop-2-enoylamino)acetate
SMILESC=CC(=O)NCC(=O)OCCOC
InChIInChI=1S/C8H13NO4/c1-3-7(10)9-6-8(11)13-5-4-12-2/h3H,1,4-6H2,2H3,(H,9,10)
InChIKeyLHAWCLPOCFUUHA-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.52
Rot. Bonds6

About 2-methoxyethyl 2-(prop-2-enoylamino)acetate

2-methoxyethyl 2-(prop-2-enoylamino)acetate (PubChem CID 54033151) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-methoxyethyl 2-(prop-2-enoylamino)acetate.

Molecular Properties

Compound Name2-methoxyethyl 2-(prop-2-enoylamino)acetate
PubChem CID54033151
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-methoxyethyl 2-(prop-2-enoylamino)acetate
SMILESC=CC(=O)NCC(=O)OCCOC
InChIInChI=1S/C8H13NO4/c1-3-7(10)9-6-8(11)13-5-4-12-2/h3H,1,4-6H2,2H3,(H,9,10)
InChIKeyLHAWCLPOCFUUHA-UHFFFAOYSA-N
XLogP-0.52
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methoxyethyl 2-(prop-2-enoylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl acrylamidoglycolate methyl ether
CID 156893
N,N'-((ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))diacrylamide
CID 42636032
Acrylylglycine, methyl ester
CID 6429410
Methyl 2-hydroxy-2-(1-oxo-2-propenylamino)acetate
CID 157058
Butyl (acryloylamino)(butoxy)acetate
CID 57312822
N-acryloylglycine ethyl ester
CID 21721258
N-[2-(2-methoxyethoxy)ethyl]acrylamide
CID 61849582
Acetic acid, hydroxy((1-oxo-2-propenyl)amino)-, butyl ester
CID 174780
Ethyl Acrylamidoglycolate Ethyl Ether
CID 57306758
N-(17-amino-3,6,9,12,15-pentaoxaheptadecyl)acrylamide
CID 172914434
2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethyl N-methylcarbamate
CID 176433411
ethyl 2-[[(Z)-4-(ethoxycarbonylamino)-4-oxobut-2-enoyl]amino]acetate
CID 5358578

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-(prop-2-enoylamino)acetate?
The IUPAC name of 2-methoxyethyl 2-(prop-2-enoylamino)acetate (CID 54033151) is 2-methoxyethyl 2-(prop-2-enoylamino)acetate.
What is the SMILES notation for 2-methoxyethyl 2-(prop-2-enoylamino)acetate?
The canonical SMILES for 2-methoxyethyl 2-(prop-2-enoylamino)acetate is C=CC(=O)NCC(=O)OCCOC.
What is the InChIKey of 2-methoxyethyl 2-(prop-2-enoylamino)acetate?
The InChIKey is LHAWCLPOCFUUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-3-7(10)9-6-8(11)13-5-4-12-2/h3H,1,4-6H2,2H3,(H,9,10).
What are the key properties of 2-methoxyethyl 2-(prop-2-enoylamino)acetate?
2-methoxyethyl 2-(prop-2-enoylamino)acetate has a molecular weight of 187.19 g/mol, XLogP of -0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-(prop-2-enoylamino)acetate is sourced from PubChem (CID 54033151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).