2-prop-2-enoxyethyl 4-aminobutanoate

C9H17NO3 — CID 89197306

IUPAC2-prop-2-enoxyethyl 4-aminobutanoate
SMILESC=CCOCCOC(=O)CCCN
InChIInChI=1S/C9H17NO3/c1-2-6-12-7-8-13-9(11)4-3-5-10/h2H,1,3-8,10H2
InChIKeyZTRONUPQPOKRLL-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.47
Rot. Bonds8

About 2-prop-2-enoxyethyl 4-aminobutanoate

2-prop-2-enoxyethyl 4-aminobutanoate (PubChem CID 89197306) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-prop-2-enoxyethyl 4-aminobutanoate.

Molecular Properties

Compound Name2-prop-2-enoxyethyl 4-aminobutanoate
PubChem CID89197306
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-prop-2-enoxyethyl 4-aminobutanoate
SMILESC=CCOCCOC(=O)CCCN
InChIInChI=1S/C9H17NO3/c1-2-6-12-7-8-13-9(11)4-3-5-10/h2H,1,3-8,10H2
InChIKeyZTRONUPQPOKRLL-UHFFFAOYSA-N
XLogP0.47
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-prop-2-enoxyethyl 4-aminobutanoate 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

2-Prop-2-enoxyethyl 4-amino-2-fluorobutanoate
CID 57644186
2-Prop-2-enoxyethyl 4-amino-2,2-difluorobutanoate
CID 57644268
Prop-2-enyl 4-aminobutanoate
CID 54235315
Prop-2-enyl 4-(methylamino)butanoate
CID 88938848
prop-2-enyl (2R)-4-amino-2-iodobutanoate
CID 89818039
2-(2-Methylprop-2-enoyloxy)ethyl 4-aminobutanoate
CID 135324596
Allyl 4-aminobutanoate hydrochloride
CID 170918105

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoxyethyl 4-aminobutanoate?
The IUPAC name of 2-prop-2-enoxyethyl 4-aminobutanoate (CID 89197306) is 2-prop-2-enoxyethyl 4-aminobutanoate.
What is the SMILES notation for 2-prop-2-enoxyethyl 4-aminobutanoate?
The canonical SMILES for 2-prop-2-enoxyethyl 4-aminobutanoate is C=CCOCCOC(=O)CCCN.
What is the InChIKey of 2-prop-2-enoxyethyl 4-aminobutanoate?
The InChIKey is ZTRONUPQPOKRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-6-12-7-8-13-9(11)4-3-5-10/h2H,1,3-8,10H2.
What are the key properties of 2-prop-2-enoxyethyl 4-aminobutanoate?
2-prop-2-enoxyethyl 4-aminobutanoate has a molecular weight of 187.24 g/mol, XLogP of 0.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxyethyl 4-aminobutanoate is sourced from PubChem (CID 89197306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).