butan-2-yl 4-(ethylamino)oxolane-3-carboxylate

C11H21NO3 — CID 66247532

IUPACbutan-2-yl 4-(ethylamino)oxolane-3-carboxylate
SMILESCCNC1COCC1C(=O)OC(C)CC
InChIInChI=1S/C11H21NO3/c1-4-8(3)15-11(13)9-6-14-7-10(9)12-5-2/h8-10,12H,4-7H2,1-3H3
InChIKeyVWIYVCXRNWWOTF-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.95
Rot. Bonds5

About butan-2-yl 4-(ethylamino)oxolane-3-carboxylate

butan-2-yl 4-(ethylamino)oxolane-3-carboxylate (PubChem CID 66247532) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is butan-2-yl 4-(ethylamino)oxolane-3-carboxylate.

Molecular Properties

Compound Namebutan-2-yl 4-(ethylamino)oxolane-3-carboxylate
PubChem CID66247532
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namebutan-2-yl 4-(ethylamino)oxolane-3-carboxylate
SMILESCCNC1COCC1C(=O)OC(C)CC
InChIInChI=1S/C11H21NO3/c1-4-8(3)15-11(13)9-6-14-7-10(9)12-5-2/h8-10,12H,4-7H2,1-3H3
InChIKeyVWIYVCXRNWWOTF-UHFFFAOYSA-N
XLogP0.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of butan-2-yl 4-(ethylamino)oxolane-3-carboxylate?
The IUPAC name of butan-2-yl 4-(ethylamino)oxolane-3-carboxylate (CID 66247532) is butan-2-yl 4-(ethylamino)oxolane-3-carboxylate.
What is the SMILES notation for butan-2-yl 4-(ethylamino)oxolane-3-carboxylate?
The canonical SMILES for butan-2-yl 4-(ethylamino)oxolane-3-carboxylate is CCNC1COCC1C(=O)OC(C)CC.
What is the InChIKey of butan-2-yl 4-(ethylamino)oxolane-3-carboxylate?
The InChIKey is VWIYVCXRNWWOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-8(3)15-11(13)9-6-14-7-10(9)12-5-2/h8-10,12H,4-7H2,1-3H3.
What are the key properties of butan-2-yl 4-(ethylamino)oxolane-3-carboxylate?
butan-2-yl 4-(ethylamino)oxolane-3-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 4-(ethylamino)oxolane-3-carboxylate is sourced from PubChem (CID 66247532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).