methyl (Z)-4-(2-hydroxyethylamino)but-2-enoate

C7H13NO3 — CID 59367923

IUPACmethyl (Z)-4-(2-hydroxyethylamino)but-2-enoate
SMILESCOC(=O)/C=C\CNCCO
InChIInChI=1S/C7H13NO3/c1-11-7(10)3-2-4-8-5-6-9/h2-3,8-9H,4-6H2,1H3/b3-2-
InChIKeyUXZFRERMOZGLHP-IHWYPQMZSA-N
MW159.19 g/mol
LogP-0.70
Rot. Bonds5

About methyl (Z)-4-(2-hydroxyethylamino)but-2-enoate

methyl (Z)-4-(2-hydroxyethylamino)but-2-enoate (PubChem CID 59367923) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is methyl (Z)-4-(2-hydroxyethylamino)but-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-(2-hydroxyethylamino)but-2-enoate
PubChem CID59367923
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Namemethyl (Z)-4-(2-hydroxyethylamino)but-2-enoate
SMILESCOC(=O)/C=C\CNCCO
InChIInChI=1S/C7H13NO3/c1-11-7(10)3-2-4-8-5-6-9/h2-3,8-9H,4-6H2,1H3/b3-2-
InChIKeyUXZFRERMOZGLHP-IHWYPQMZSA-N
XLogP-0.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-4-(2-hydroxyethylamino)but-2-enoate?
The IUPAC name of methyl (Z)-4-(2-hydroxyethylamino)but-2-enoate (CID 59367923) is methyl (Z)-4-(2-hydroxyethylamino)but-2-enoate.
What is the SMILES notation for methyl (Z)-4-(2-hydroxyethylamino)but-2-enoate?
The canonical SMILES for methyl (Z)-4-(2-hydroxyethylamino)but-2-enoate is COC(=O)/C=C\CNCCO.
What is the InChIKey of methyl (Z)-4-(2-hydroxyethylamino)but-2-enoate?
The InChIKey is UXZFRERMOZGLHP-IHWYPQMZSA-N. The full InChI is InChI=1S/C7H13NO3/c1-11-7(10)3-2-4-8-5-6-9/h2-3,8-9H,4-6H2,1H3/b3-2-.
What are the key properties of methyl (Z)-4-(2-hydroxyethylamino)but-2-enoate?
methyl (Z)-4-(2-hydroxyethylamino)but-2-enoate has a molecular weight of 159.19 g/mol, XLogP of -0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-(2-hydroxyethylamino)but-2-enoate is sourced from PubChem (CID 59367923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).