ethyl 3-[(S)-2-methylbutan-2-yloxy(phenyl)methyl]indolizine-1-carboxylate

C23H27NO3 — CID 146270558

IUPACethyl 3-[(S)-2-methylbutan-2-yloxy(phenyl)methyl]indolizine-1-carboxylate
SMILESCCOC(=O)c1cc([C@@H](OC(C)(C)CC)c2ccccc2)n2ccccc12
InChIInChI=1S/C23H27NO3/c1-5-23(3,4)27-21(17-12-8-7-9-13-17)20-16-18(22(25)26-6-2)19-14-10-11-15-24(19)20/h7-16,21H,5-6H2,1-4H3/t21-/m0/s1
InChIKeyZULDRQDJDPHOFG-NRFANRHFSA-N
MW365.47 g/mol
LogP5.41
Rot. Bonds7

About ethyl 3-[(S)-2-methylbutan-2-yloxy(phenyl)methyl]indolizine-1-carboxylate

ethyl 3-[(S)-2-methylbutan-2-yloxy(phenyl)methyl]indolizine-1-carboxylate (PubChem CID 146270558) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is ethyl 3-[(S)-2-methylbutan-2-yloxy(phenyl)methyl]indolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(S)-2-methylbutan-2-yloxy(phenyl)methyl]indolizine-1-carboxylate
PubChem CID146270558
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Nameethyl 3-[(S)-2-methylbutan-2-yloxy(phenyl)methyl]indolizine-1-carboxylate
SMILESCCOC(=O)c1cc([C@@H](OC(C)(C)CC)c2ccccc2)n2ccccc12
InChIInChI=1S/C23H27NO3/c1-5-23(3,4)27-21(17-12-8-7-9-13-17)20-16-18(22(25)26-6-2)19-14-10-11-15-24(19)20/h7-16,21H,5-6H2,1-4H3/t21-/m0/s1
InChIKeyZULDRQDJDPHOFG-NRFANRHFSA-N
XLogP5.41
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.47
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-ethoxycarbonylindolizin-3-yl)-phenylmethyl]indolizine-1-carboxylic acid
CID 141317092
ethyl 3-[(S)-ethylsulfanyl(phenyl)methyl]indolizine-1-carboxylate
CID 146270718
ethyl 3-[(S)-(3,5-dimethylanilino)-phenylmethyl]indolizine-1-carboxylate
CID 146270137
ethyl 3-[(S)-3-methylbutylsulfanyl(phenyl)methyl]indolizine-1-carboxylate
CID 146270653
ethyl 3-[(S)-(3-methylanilino)-phenylmethyl]indolizine-1-carboxylate
CID 146270141
ethyl 3-[(S)-anilino-(4-methylphenyl)methyl]indolizine-1-carboxylate
CID 146270144
ethyl 3-ethylindolizine-1-carboxylate
CID 3747254
ethyl 3-acetyl-4-oxoquinolizine-1-carboxylate
CID 621106
ethyl 3-(18O)benzoylindolizine-1-carboxylate
CID 154722794
ethyl 3-pyridin-2-ylindolizine-1-carboxylate
CID 154722576
ethyl 1-(2-hydroxybenzoyl)indolizine-3-carboxylate
CID 175101033
ethyl 3-[(E)-2-(2-chlorophenyl)ethenyl]indolizine-1-carboxylate
CID 142749731

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(S)-2-methylbutan-2-yloxy(phenyl)methyl]indolizine-1-carboxylate?
The IUPAC name of ethyl 3-[(S)-2-methylbutan-2-yloxy(phenyl)methyl]indolizine-1-carboxylate (CID 146270558) is ethyl 3-[(S)-2-methylbutan-2-yloxy(phenyl)methyl]indolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-[(S)-2-methylbutan-2-yloxy(phenyl)methyl]indolizine-1-carboxylate?
The canonical SMILES for ethyl 3-[(S)-2-methylbutan-2-yloxy(phenyl)methyl]indolizine-1-carboxylate is CCOC(=O)c1cc([C@@H](OC(C)(C)CC)c2ccccc2)n2ccccc12.
What is the InChIKey of ethyl 3-[(S)-2-methylbutan-2-yloxy(phenyl)methyl]indolizine-1-carboxylate?
The InChIKey is ZULDRQDJDPHOFG-NRFANRHFSA-N. The full InChI is InChI=1S/C23H27NO3/c1-5-23(3,4)27-21(17-12-8-7-9-13-17)20-16-18(22(25)26-6-2)19-14-10-11-15-24(19)20/h7-16,21H,5-6H2,1-4H3/t21-/m0/s1.
What are the key properties of ethyl 3-[(S)-2-methylbutan-2-yloxy(phenyl)methyl]indolizine-1-carboxylate?
ethyl 3-[(S)-2-methylbutan-2-yloxy(phenyl)methyl]indolizine-1-carboxylate has a molecular weight of 365.47 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(S)-2-methylbutan-2-yloxy(phenyl)methyl]indolizine-1-carboxylate is sourced from PubChem (CID 146270558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).