ethyl 3-(butan-2-ylamino)-2-methyloxolane-3-carboxylate

C12H23NO3 — CID 82718161

IUPACethyl 3-(butan-2-ylamino)-2-methyloxolane-3-carboxylate
SMILESCCOC(=O)C1(NC(C)CC)CCOC1C
InChIInChI=1S/C12H23NO3/c1-5-9(3)13-12(11(14)15-6-2)7-8-16-10(12)4/h9-10,13H,5-8H2,1-4H3
InChIKeyMKQXFHIQEURNFP-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.49
Rot. Bonds5

About ethyl 3-(butan-2-ylamino)-2-methyloxolane-3-carboxylate

ethyl 3-(butan-2-ylamino)-2-methyloxolane-3-carboxylate (PubChem CID 82718161) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethyl 3-(butan-2-ylamino)-2-methyloxolane-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-(butan-2-ylamino)-2-methyloxolane-3-carboxylate
PubChem CID82718161
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethyl 3-(butan-2-ylamino)-2-methyloxolane-3-carboxylate
SMILESCCOC(=O)C1(NC(C)CC)CCOC1C
InChIInChI=1S/C12H23NO3/c1-5-9(3)13-12(11(14)15-6-2)7-8-16-10(12)4/h9-10,13H,5-8H2,1-4H3
InChIKeyMKQXFHIQEURNFP-UHFFFAOYSA-N
XLogP1.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[2-(dimethylamino)ethylamino]-2-methyloxolane-3-carboxylate
CID 82718775
ethyl 1-(butan-2-ylamino)-2-methoxycyclohexane-1-carboxylate
CID 106873112
ethyl 3-(2-azidoethylamino)-2-methyloxolane-3-carboxylate
CID 82718490
ethyl 3-(4-fluoroanilino)-2-methyloxolane-3-carboxylate
CID 82719419
ethyl 1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carboxylate
CID 65044720
ethyl 4-(butan-2-ylamino)oxepane-4-carboxylate
CID 65079406
ethyl 3-(3-bromo-4-chloroanilino)-2-methyloxolane-3-carboxylate
CID 82718153
ethyl 4-(butan-2-ylamino)piperidine-4-carboxylate
CID 61244108
ethyl 4-methyl-1-(propan-2-ylamino)cycloheptane-1-carboxylate
CID 65084789
methyl 3-(cyclopropylmethylamino)-2-methyloxolane-3-carboxylate
CID 82719303
ethyl 4-(butan-2-ylamino)-1-propylazepane-4-carboxylate
CID 65076013
ethyl 3-methyl-4-(propan-2-ylamino)piperidine-4-carboxylate
CID 114500523

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(butan-2-ylamino)-2-methyloxolane-3-carboxylate?
The IUPAC name of ethyl 3-(butan-2-ylamino)-2-methyloxolane-3-carboxylate (CID 82718161) is ethyl 3-(butan-2-ylamino)-2-methyloxolane-3-carboxylate.
What is the SMILES notation for ethyl 3-(butan-2-ylamino)-2-methyloxolane-3-carboxylate?
The canonical SMILES for ethyl 3-(butan-2-ylamino)-2-methyloxolane-3-carboxylate is CCOC(=O)C1(NC(C)CC)CCOC1C.
What is the InChIKey of ethyl 3-(butan-2-ylamino)-2-methyloxolane-3-carboxylate?
The InChIKey is MKQXFHIQEURNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-5-9(3)13-12(11(14)15-6-2)7-8-16-10(12)4/h9-10,13H,5-8H2,1-4H3.
What are the key properties of ethyl 3-(butan-2-ylamino)-2-methyloxolane-3-carboxylate?
ethyl 3-(butan-2-ylamino)-2-methyloxolane-3-carboxylate has a molecular weight of 229.32 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(butan-2-ylamino)-2-methyloxolane-3-carboxylate is sourced from PubChem (CID 82718161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).