2-cyclopropylethyl 4-aminooxolane-3-carboxylate

C10H17NO3 — CID 106202631

IUPAC2-cyclopropylethyl 4-aminooxolane-3-carboxylate
SMILESNC1COCC1C(=O)OCCC1CC1
InChIInChI=1S/C10H17NO3/c11-9-6-13-5-8(9)10(12)14-4-3-7-1-2-7/h7-9H,1-6,11H2
InChIKeyLGSIDPWMJARAJM-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.30
Rot. Bonds4

About 2-cyclopropylethyl 4-aminooxolane-3-carboxylate

2-cyclopropylethyl 4-aminooxolane-3-carboxylate (PubChem CID 106202631) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-cyclopropylethyl 4-aminooxolane-3-carboxylate.

Molecular Properties

Compound Name2-cyclopropylethyl 4-aminooxolane-3-carboxylate
PubChem CID106202631
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-cyclopropylethyl 4-aminooxolane-3-carboxylate
SMILESNC1COCC1C(=O)OCCC1CC1
InChIInChI=1S/C10H17NO3/c11-9-6-13-5-8(9)10(12)14-4-3-7-1-2-7/h7-9H,1-6,11H2
InChIKeyLGSIDPWMJARAJM-UHFFFAOYSA-N
XLogP0.30
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylethyl 4-aminooxolane-3-carboxylate?
The IUPAC name of 2-cyclopropylethyl 4-aminooxolane-3-carboxylate (CID 106202631) is 2-cyclopropylethyl 4-aminooxolane-3-carboxylate.
What is the SMILES notation for 2-cyclopropylethyl 4-aminooxolane-3-carboxylate?
The canonical SMILES for 2-cyclopropylethyl 4-aminooxolane-3-carboxylate is NC1COCC1C(=O)OCCC1CC1.
What is the InChIKey of 2-cyclopropylethyl 4-aminooxolane-3-carboxylate?
The InChIKey is LGSIDPWMJARAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c11-9-6-13-5-8(9)10(12)14-4-3-7-1-2-7/h7-9H,1-6,11H2.
What are the key properties of 2-cyclopropylethyl 4-aminooxolane-3-carboxylate?
2-cyclopropylethyl 4-aminooxolane-3-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylethyl 4-aminooxolane-3-carboxylate is sourced from PubChem (CID 106202631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).