ethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]indolizine-2-carboxylate

C16H20N2O4 — CID 130458351

IUPACethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]indolizine-2-carboxylate
SMILESCCOC(=O)c1cc2cc(NC(=O)OC(C)(C)C)ccn2c1
InChIInChI=1S/C16H20N2O4/c1-5-21-14(19)11-8-13-9-12(6-7-18(13)10-11)17-15(20)22-16(2,3)4/h6-10H,5H2,1-4H3,(H,17,20)
InChIKeyBUWRXVGRLQPOBI-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.46
Rot. Bonds3

About ethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]indolizine-2-carboxylate

ethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]indolizine-2-carboxylate (PubChem CID 130458351) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is ethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]indolizine-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]indolizine-2-carboxylate
PubChem CID130458351
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Nameethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]indolizine-2-carboxylate
SMILESCCOC(=O)c1cc2cc(NC(=O)OC(C)(C)C)ccn2c1
InChIInChI=1S/C16H20N2O4/c1-5-21-14(19)11-8-13-9-12(6-7-18(13)10-11)17-15(20)22-16(2,3)4/h6-10H,5H2,1-4H3,(H,17,20)
InChIKeyBUWRXVGRLQPOBI-UHFFFAOYSA-N
XLogP3.46
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90134610
tert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate
CID 91971207
ethyl 6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 58563500
tert-butyl N-[3-(aminomethyl)-4-ethoxyphenyl]carbamate
CID 63755474
ethoxycarbonyl 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzenecarboperoxoate
CID 175179844
ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetate
CID 118182502
tert-butyl N-(3-ethoxyphenyl)carbamate
CID 17098158
tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
CID 132820274
tert-butyl N-(3-amino-4-methylphenyl)carbamate;hydrobromide
CID 131885239
tert-butyl N-[3-(carbamoyloxymethyl)phenyl]carbamate
CID 174964106
[2-(3-acetylanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8520707
ethyl 1-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylate
CID 14488339

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]indolizine-2-carboxylate?
The IUPAC name of ethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]indolizine-2-carboxylate (CID 130458351) is ethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]indolizine-2-carboxylate.
What is the SMILES notation for ethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]indolizine-2-carboxylate?
The canonical SMILES for ethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]indolizine-2-carboxylate is CCOC(=O)c1cc2cc(NC(=O)OC(C)(C)C)ccn2c1.
What is the InChIKey of ethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]indolizine-2-carboxylate?
The InChIKey is BUWRXVGRLQPOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-5-21-14(19)11-8-13-9-12(6-7-18(13)10-11)17-15(20)22-16(2,3)4/h6-10H,5H2,1-4H3,(H,17,20).
What are the key properties of ethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]indolizine-2-carboxylate?
ethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]indolizine-2-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]indolizine-2-carboxylate is sourced from PubChem (CID 130458351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).