anthracen-9-ylmethyl 2-aminoprop-2-enoate;methyl 2-methylprop-2-enoate

C23H23NO4 — CID 143687824

IUPACanthracen-9-ylmethyl 2-aminoprop-2-enoate;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(N)C(=O)OCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C18H15NO2.C5H8O2/c1-12(19)18(20)21-11-17-15-8-4-2-6-13(15)10-14-7-3-5-9-16(14)17;1-4(2)5(6)7-3/h2-10H,1,11,19H2;1H2,2-3H3
InChIKeyDNOGYFNAMILLKU-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.24
Rot. Bonds4

About anthracen-9-ylmethyl 2-aminoprop-2-enoate;methyl 2-methylprop-2-enoate

anthracen-9-ylmethyl 2-aminoprop-2-enoate;methyl 2-methylprop-2-enoate (PubChem CID 143687824) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is anthracen-9-ylmethyl 2-aminoprop-2-enoate;methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameanthracen-9-ylmethyl 2-aminoprop-2-enoate;methyl 2-methylprop-2-enoate
PubChem CID143687824
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Nameanthracen-9-ylmethyl 2-aminoprop-2-enoate;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(N)C(=O)OCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C18H15NO2.C5H8O2/c1-12(19)18(20)21-11-17-15-8-4-2-6-13(15)10-14-7-3-5-9-16(14)17;1-4(2)5(6)7-3/h2-10H,1,11,19H2;1H2,2-3H3
InChIKeyDNOGYFNAMILLKU-UHFFFAOYSA-N
XLogP4.24
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of anthracen-9-ylmethyl 2-aminoprop-2-enoate;methyl 2-methylprop-2-enoate?
The IUPAC name of anthracen-9-ylmethyl 2-aminoprop-2-enoate;methyl 2-methylprop-2-enoate (CID 143687824) is anthracen-9-ylmethyl 2-aminoprop-2-enoate;methyl 2-methylprop-2-enoate.
What is the SMILES notation for anthracen-9-ylmethyl 2-aminoprop-2-enoate;methyl 2-methylprop-2-enoate?
The canonical SMILES for anthracen-9-ylmethyl 2-aminoprop-2-enoate;methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC.C=C(N)C(=O)OCc1c2ccccc2cc2ccccc12.
What is the InChIKey of anthracen-9-ylmethyl 2-aminoprop-2-enoate;methyl 2-methylprop-2-enoate?
The InChIKey is DNOGYFNAMILLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2.C5H8O2/c1-12(19)18(20)21-11-17-15-8-4-2-6-13(15)10-14-7-3-5-9-16(14)17;1-4(2)5(6)7-3/h2-10H,1,11,19H2;1H2,2-3H3.
What are the key properties of anthracen-9-ylmethyl 2-aminoprop-2-enoate;methyl 2-methylprop-2-enoate?
anthracen-9-ylmethyl 2-aminoprop-2-enoate;methyl 2-methylprop-2-enoate has a molecular weight of 377.44 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-9-ylmethyl 2-aminoprop-2-enoate;methyl 2-methylprop-2-enoate is sourced from PubChem (CID 143687824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).