methyl 1-ethyl-5-methoxycarbonyloxyindole-3-carboxylate

C14H15NO5 — CID 57297438

IUPACmethyl 1-ethyl-5-methoxycarbonyloxyindole-3-carboxylate
SMILESCCn1cc(C(=O)OC)c2cc(OC(=O)OC)ccc21
InChIInChI=1S/C14H15NO5/c1-4-15-8-11(13(16)18-2)10-7-9(5-6-12(10)15)20-14(17)19-3/h5-8H,4H2,1-3H3
InChIKeyHUUJPGCUXBEFQL-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.59
Rot. Bonds3

About methyl 1-ethyl-5-methoxycarbonyloxyindole-3-carboxylate

methyl 1-ethyl-5-methoxycarbonyloxyindole-3-carboxylate (PubChem CID 57297438) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is methyl 1-ethyl-5-methoxycarbonyloxyindole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-5-methoxycarbonyloxyindole-3-carboxylate
PubChem CID57297438
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Namemethyl 1-ethyl-5-methoxycarbonyloxyindole-3-carboxylate
SMILESCCn1cc(C(=O)OC)c2cc(OC(=O)OC)ccc21
InChIInChI=1S/C14H15NO5/c1-4-15-8-11(13(16)18-2)10-7-9(5-6-12(10)15)20-14(17)19-3/h5-8H,4H2,1-3H3
InChIKeyHUUJPGCUXBEFQL-UHFFFAOYSA-N
XLogP2.59
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 1-ethyl-5-methoxycarbonyloxyindole-3-carboxylate 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-(1-ethyl-5-methoxyindol-3-yl)-2-oxo-N-propan-2-ylacetamide
CID 123864868
methyl 5-ethyl-1-(3-hydroxypropyl)indole-3-carboxylate
CID 83947740
1-ethyl-6-methoxy-N-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 30132802
1-ethyl-6-methoxy-4-oxo-N-(4-propan-2-ylphenyl)quinoline-3-carboxamide
CID 30132855
1-ethyl-6-methoxy-4-oxo-N-[(1S)-1-phenylethyl]quinoline-3-carboxamide
CID 30132817
methyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
CID 14852082
N-(diaminomethylidene)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide;hydrochloride
CID 45264362
3-acetyl-1,6-diethylquinolin-4-one
CID 58801712
methyl 5-bromo-1-(3-hydroxypropyl)indole-3-carboxylate
CID 83948124
N-[1-(4-bromophenyl)ethyl]-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 43888757
1-ethyl-6-methoxy-N-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 30132807
2,2-dimethylpropyl 5-methoxy-1-propylindole-3-carboxylate
CID 141093705

Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-5-methoxycarbonyloxyindole-3-carboxylate?
The IUPAC name of methyl 1-ethyl-5-methoxycarbonyloxyindole-3-carboxylate (CID 57297438) is methyl 1-ethyl-5-methoxycarbonyloxyindole-3-carboxylate.
What is the SMILES notation for methyl 1-ethyl-5-methoxycarbonyloxyindole-3-carboxylate?
The canonical SMILES for methyl 1-ethyl-5-methoxycarbonyloxyindole-3-carboxylate is CCn1cc(C(=O)OC)c2cc(OC(=O)OC)ccc21.
What is the InChIKey of methyl 1-ethyl-5-methoxycarbonyloxyindole-3-carboxylate?
The InChIKey is HUUJPGCUXBEFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-4-15-8-11(13(16)18-2)10-7-9(5-6-12(10)15)20-14(17)19-3/h5-8H,4H2,1-3H3.
What are the key properties of methyl 1-ethyl-5-methoxycarbonyloxyindole-3-carboxylate?
methyl 1-ethyl-5-methoxycarbonyloxyindole-3-carboxylate has a molecular weight of 277.28 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-5-methoxycarbonyloxyindole-3-carboxylate is sourced from PubChem (CID 57297438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).