methyl 3-(propan-2-ylamino)oxolane-3-carboxylate

C9H17NO3 — CID 63335793

IUPACmethyl 3-(propan-2-ylamino)oxolane-3-carboxylate
SMILESCOC(=O)C1(NC(C)C)CCOC1
InChIInChI=1S/C9H17NO3/c1-7(2)10-9(8(11)12-3)4-5-13-6-9/h7,10H,4-6H2,1-3H3
InChIKeyZRKOYMZBVXPQAO-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.32
Rot. Bonds3

About methyl 3-(propan-2-ylamino)oxolane-3-carboxylate

methyl 3-(propan-2-ylamino)oxolane-3-carboxylate (PubChem CID 63335793) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 3-(propan-2-ylamino)oxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-(propan-2-ylamino)oxolane-3-carboxylate
PubChem CID63335793
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 3-(propan-2-ylamino)oxolane-3-carboxylate
SMILESCOC(=O)C1(NC(C)C)CCOC1
InChIInChI=1S/C9H17NO3/c1-7(2)10-9(8(11)12-3)4-5-13-6-9/h7,10H,4-6H2,1-3H3
InChIKeyZRKOYMZBVXPQAO-UHFFFAOYSA-N
XLogP0.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(propan-2-ylamino)oxolane-3-carboxylate?
The IUPAC name of methyl 3-(propan-2-ylamino)oxolane-3-carboxylate (CID 63335793) is methyl 3-(propan-2-ylamino)oxolane-3-carboxylate.
What is the SMILES notation for methyl 3-(propan-2-ylamino)oxolane-3-carboxylate?
The canonical SMILES for methyl 3-(propan-2-ylamino)oxolane-3-carboxylate is COC(=O)C1(NC(C)C)CCOC1.
What is the InChIKey of methyl 3-(propan-2-ylamino)oxolane-3-carboxylate?
The InChIKey is ZRKOYMZBVXPQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(2)10-9(8(11)12-3)4-5-13-6-9/h7,10H,4-6H2,1-3H3.
What are the key properties of methyl 3-(propan-2-ylamino)oxolane-3-carboxylate?
methyl 3-(propan-2-ylamino)oxolane-3-carboxylate has a molecular weight of 187.24 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(propan-2-ylamino)oxolane-3-carboxylate is sourced from PubChem (CID 63335793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).