5-oxaspiro[3.5]nonan-8-yl 4-amino-1-ethylpyrrole-2-carboxylate

C15H22N2O3 — CID 79911044

IUPAC5-oxaspiro[3.5]nonan-8-yl 4-amino-1-ethylpyrrole-2-carboxylate
SMILESCCn1cc(N)cc1C(=O)OC1CCOC2(CCC2)C1
InChIInChI=1S/C15H22N2O3/c1-2-17-10-11(16)8-13(17)14(18)20-12-4-7-19-15(9-12)5-3-6-15/h8,10,12H,2-7,9,16H2,1H3
InChIKeyTYWCCCRTXAEJMB-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.35
Rot. Bonds3

About 5-oxaspiro[3.5]nonan-8-yl 4-amino-1-ethylpyrrole-2-carboxylate

5-oxaspiro[3.5]nonan-8-yl 4-amino-1-ethylpyrrole-2-carboxylate (PubChem CID 79911044) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 5-oxaspiro[3.5]nonan-8-yl 4-amino-1-ethylpyrrole-2-carboxylate.

Molecular Properties

Compound Name5-oxaspiro[3.5]nonan-8-yl 4-amino-1-ethylpyrrole-2-carboxylate
PubChem CID79911044
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name5-oxaspiro[3.5]nonan-8-yl 4-amino-1-ethylpyrrole-2-carboxylate
SMILESCCn1cc(N)cc1C(=O)OC1CCOC2(CCC2)C1
InChIInChI=1S/C15H22N2O3/c1-2-17-10-11(16)8-13(17)14(18)20-12-4-7-19-15(9-12)5-3-6-15/h8,10,12H,2-7,9,16H2,1H3
InChIKeyTYWCCCRTXAEJMB-UHFFFAOYSA-N
XLogP2.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-amino-1-methyl-1H-pyrrole-2-carboxylate hydrochloride
CID 2794656
2-Phenylethyl 4-[[4-(methoxycarbonylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate
CID 44249788
Methyl 4-amino-1-methyl-1H-pyrrole-2-carboxylate
CID 2794657
Ethyl 4-acetamido-1-methylpyrrole-2-carboxylate
CID 332143
Endostemonine J
CID 170988243
methyl 4-(tert-butoxycarbonylamino)-1-methyl-1H-pyrrole-2-carboxylate
CID 11345817
ethyl 3-amino-1-benzyl-1H-pyrrole-2-carboxylate hydrochloride
CID 177799386
Ethyl 4-amino-1-methyl-1H-pyrrole-2-carboxylate
CID 11182847
Ethyl 1-(methoxymethyl)-4-[(2-methyl-11-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraen-10-yl)amino]pyrrole-2-carboxylate
CID 10407527
Methyl 4-(cyclohexanecarbonylamino)-1-methylpyrrole-2-carboxylate
CID 84585796
methyl 1-methyl-4-[[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]amino]pyrrole-2-carboxylate
CID 164635761
Ethyl 4-[(2,4-difluorobenzoyl)amino]-1-[3-(dimethylamino)propyl]pyrrole-2-carboxylate
CID 71169225

Frequently Asked Questions

What is the IUPAC name of 5-oxaspiro[3.5]nonan-8-yl 4-amino-1-ethylpyrrole-2-carboxylate?
The IUPAC name of 5-oxaspiro[3.5]nonan-8-yl 4-amino-1-ethylpyrrole-2-carboxylate (CID 79911044) is 5-oxaspiro[3.5]nonan-8-yl 4-amino-1-ethylpyrrole-2-carboxylate.
What is the SMILES notation for 5-oxaspiro[3.5]nonan-8-yl 4-amino-1-ethylpyrrole-2-carboxylate?
The canonical SMILES for 5-oxaspiro[3.5]nonan-8-yl 4-amino-1-ethylpyrrole-2-carboxylate is CCn1cc(N)cc1C(=O)OC1CCOC2(CCC2)C1.
What is the InChIKey of 5-oxaspiro[3.5]nonan-8-yl 4-amino-1-ethylpyrrole-2-carboxylate?
The InChIKey is TYWCCCRTXAEJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-17-10-11(16)8-13(17)14(18)20-12-4-7-19-15(9-12)5-3-6-15/h8,10,12H,2-7,9,16H2,1H3.
What are the key properties of 5-oxaspiro[3.5]nonan-8-yl 4-amino-1-ethylpyrrole-2-carboxylate?
5-oxaspiro[3.5]nonan-8-yl 4-amino-1-ethylpyrrole-2-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxaspiro[3.5]nonan-8-yl 4-amino-1-ethylpyrrole-2-carboxylate is sourced from PubChem (CID 79911044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).