ethyl 4-amino-3-methyloxolane-3-carboxylate

C8H15NO3 — CID 66250331

IUPACethyl 4-amino-3-methyloxolane-3-carboxylate
SMILESCCOC(=O)C1(C)COCC1N
InChIInChI=1S/C8H15NO3/c1-3-12-7(10)8(2)5-11-4-6(8)9/h6H,3-5,9H2,1-2H3
InChIKeyLHPJFKDWWPNNIB-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.09
Rot. Bonds2

About ethyl 4-amino-3-methyloxolane-3-carboxylate

ethyl 4-amino-3-methyloxolane-3-carboxylate (PubChem CID 66250331) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is ethyl 4-amino-3-methyloxolane-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-3-methyloxolane-3-carboxylate
PubChem CID66250331
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameethyl 4-amino-3-methyloxolane-3-carboxylate
SMILESCCOC(=O)C1(C)COCC1N
InChIInChI=1S/C8H15NO3/c1-3-12-7(10)8(2)5-11-4-6(8)9/h6H,3-5,9H2,1-2H3
InChIKeyLHPJFKDWWPNNIB-UHFFFAOYSA-N
XLogP-0.09
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]ethyl 4-amino-3-methyloxolane-3-carboxylate
CID 112588090
2-(2-methylpropoxy)ethyl 4-amino-3-methyloxolane-3-carboxylate
CID 106448172
4-amino-N-(2-ethoxyethyl)-3-methyloxolane-3-carboxamide
CID 66249824
3-phenylpropyl 4-amino-3-methyloxolane-3-carboxylate
CID 66249748
(4-amino-3-methyloxolan-3-yl)-(4-ethylphenyl)methanone
CID 116563259
4-amino-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethyloxolane-3-carboxamide
CID 66250253
1-(4-amino-3-methyloxolan-3-yl)octan-1-one
CID 116563036
4-amino-N-[2-(ethylamino)-2-oxoethyl]-3-methyloxolane-3-carboxamide
CID 66250212
(4-amino-3-methyloxolan-3-yl)-(2-ethoxyphenyl)methanone
CID 116563003
4-amino-N-(3-ethyl-2-hydroxypentyl)-3-methyloxolane-3-carboxamide
CID 106286460
methyl 2-[(4-amino-3-methyloxolane-3-carbonyl)-methylamino]acetate
CID 66250642
ethyl 3-oxabicyclo[3.1.0]hexane-1-carboxylate
CID 123179278

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-3-methyloxolane-3-carboxylate?
The IUPAC name of ethyl 4-amino-3-methyloxolane-3-carboxylate (CID 66250331) is ethyl 4-amino-3-methyloxolane-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-3-methyloxolane-3-carboxylate?
The canonical SMILES for ethyl 4-amino-3-methyloxolane-3-carboxylate is CCOC(=O)C1(C)COCC1N.
What is the InChIKey of ethyl 4-amino-3-methyloxolane-3-carboxylate?
The InChIKey is LHPJFKDWWPNNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-3-12-7(10)8(2)5-11-4-6(8)9/h6H,3-5,9H2,1-2H3.
What are the key properties of ethyl 4-amino-3-methyloxolane-3-carboxylate?
ethyl 4-amino-3-methyloxolane-3-carboxylate has a molecular weight of 173.21 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-3-methyloxolane-3-carboxylate is sourced from PubChem (CID 66250331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).