methyl 4-(propan-2-ylamino)oxane-4-carboxylate

C10H19NO3 — CID 60788331

IUPACmethyl 4-(propan-2-ylamino)oxane-4-carboxylate
SMILESCOC(=O)C1(NC(C)C)CCOCC1
InChIInChI=1S/C10H19NO3/c1-8(2)11-10(9(12)13-3)4-6-14-7-5-10/h8,11H,4-7H2,1-3H3
InChIKeyGTQQHQVKOJEPAN-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.71
Rot. Bonds3

About methyl 4-(propan-2-ylamino)oxane-4-carboxylate

methyl 4-(propan-2-ylamino)oxane-4-carboxylate (PubChem CID 60788331) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 4-(propan-2-ylamino)oxane-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-(propan-2-ylamino)oxane-4-carboxylate
PubChem CID60788331
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 4-(propan-2-ylamino)oxane-4-carboxylate
SMILESCOC(=O)C1(NC(C)C)CCOCC1
InChIInChI=1S/C10H19NO3/c1-8(2)11-10(9(12)13-3)4-6-14-7-5-10/h8,11H,4-7H2,1-3H3
InChIKeyGTQQHQVKOJEPAN-UHFFFAOYSA-N
XLogP0.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(propan-2-ylamino)oxane-4-carboxylate?
The IUPAC name of methyl 4-(propan-2-ylamino)oxane-4-carboxylate (CID 60788331) is methyl 4-(propan-2-ylamino)oxane-4-carboxylate.
What is the SMILES notation for methyl 4-(propan-2-ylamino)oxane-4-carboxylate?
The canonical SMILES for methyl 4-(propan-2-ylamino)oxane-4-carboxylate is COC(=O)C1(NC(C)C)CCOCC1.
What is the InChIKey of methyl 4-(propan-2-ylamino)oxane-4-carboxylate?
The InChIKey is GTQQHQVKOJEPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(2)11-10(9(12)13-3)4-6-14-7-5-10/h8,11H,4-7H2,1-3H3.
What are the key properties of methyl 4-(propan-2-ylamino)oxane-4-carboxylate?
methyl 4-(propan-2-ylamino)oxane-4-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(propan-2-ylamino)oxane-4-carboxylate is sourced from PubChem (CID 60788331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).