2-methoxyethyl (Z)-4-aminobut-2-enoate

C7H13NO3 — CID 124635031

IUPAC2-methoxyethyl (Z)-4-aminobut-2-enoate
SMILESCOCCOC(=O)/C=C\CN
InChIInChI=1S/C7H13NO3/c1-10-5-6-11-7(9)3-2-4-8/h2-3H,4-6,8H2,1H3/b3-2-
InChIKeyISUQOCOBMLUQKN-IHWYPQMZSA-N
MW159.19 g/mol
LogP-0.31
Rot. Bonds5

About 2-methoxyethyl (Z)-4-aminobut-2-enoate

2-methoxyethyl (Z)-4-aminobut-2-enoate (PubChem CID 124635031) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-methoxyethyl (Z)-4-aminobut-2-enoate.

Molecular Properties

Compound Name2-methoxyethyl (Z)-4-aminobut-2-enoate
PubChem CID124635031
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name2-methoxyethyl (Z)-4-aminobut-2-enoate
SMILESCOCCOC(=O)/C=C\CN
InChIInChI=1S/C7H13NO3/c1-10-5-6-11-7(9)3-2-4-8/h2-3H,4-6,8H2,1H3/b3-2-
InChIKeyISUQOCOBMLUQKN-IHWYPQMZSA-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 ≤ 500159.19
LogP ≤ 5-0.31
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 (Z)-4-aminobut-2-enoate 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

octadecyl 4-aminobut-2-enoate
CID 91421373
bis(2-methoxyethyl) (E)-hex-2-enedioate
CID 122378069
methane;(E)-4-(2-methoxyethoxy)-4-oxobut-2-enoic acid
CID 157127007
zinc bis(4-(2-methoxyethoxy)-4-oxobut-2-enoate)
CID 162085133
bis(3-methoxypropyl) (Z)-but-2-enedioate
CID 87255789
2-(2-methoxyethoxy)ethyl (Z)-but-2-enoate
CID 5385708
1-O-butyl 4-O-(2-methoxyethyl) (Z)-but-2-enedioate
CID 87125961
4-O-(2-methoxyethyl) 1-O-undecyl (E)-but-2-enedioate
CID 91693792
2-butanoyloxyethyl pent-2-enoate
CID 173000504
2-aminoethyl pent-2-enoate;sulfuric acid
CID 174928511
bis(5-methoxy-3-methylpentyl) (E)-but-2-enedioate
CID 91705591
methyl (E)-5-methoxypent-2-enoate
CID 11116178

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl (Z)-4-aminobut-2-enoate?
The IUPAC name of 2-methoxyethyl (Z)-4-aminobut-2-enoate (CID 124635031) is 2-methoxyethyl (Z)-4-aminobut-2-enoate.
What is the SMILES notation for 2-methoxyethyl (Z)-4-aminobut-2-enoate?
The canonical SMILES for 2-methoxyethyl (Z)-4-aminobut-2-enoate is COCCOC(=O)/C=C\CN.
What is the InChIKey of 2-methoxyethyl (Z)-4-aminobut-2-enoate?
The InChIKey is ISUQOCOBMLUQKN-IHWYPQMZSA-N. The full InChI is InChI=1S/C7H13NO3/c1-10-5-6-11-7(9)3-2-4-8/h2-3H,4-6,8H2,1H3/b3-2-.
What are the key properties of 2-methoxyethyl (Z)-4-aminobut-2-enoate?
2-methoxyethyl (Z)-4-aminobut-2-enoate has a molecular weight of 159.19 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-methoxyethyl (Z)-4-aminobut-2-enoate is sourced from PubChem (CID 124635031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).