methyl 4-(propylamino)oxolane-3-carboxylate

C9H17NO3 — CID 66252301

IUPACmethyl 4-(propylamino)oxolane-3-carboxylate
SMILESCCCNC1COCC1C(=O)OC
InChIInChI=1S/C9H17NO3/c1-3-4-10-8-6-13-5-7(8)9(11)12-2/h7-8,10H,3-6H2,1-2H3
InChIKeyMJIRQMCBTJIYFB-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.17
Rot. Bonds4

About methyl 4-(propylamino)oxolane-3-carboxylate

methyl 4-(propylamino)oxolane-3-carboxylate (PubChem CID 66252301) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 4-(propylamino)oxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(propylamino)oxolane-3-carboxylate
PubChem CID66252301
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 4-(propylamino)oxolane-3-carboxylate
SMILESCCCNC1COCC1C(=O)OC
InChIInChI=1S/C9H17NO3/c1-3-4-10-8-6-13-5-7(8)9(11)12-2/h7-8,10H,3-6H2,1-2H3
InChIKeyMJIRQMCBTJIYFB-UHFFFAOYSA-N
XLogP0.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(propylamino)oxolane-3-carboxylate?
The IUPAC name of methyl 4-(propylamino)oxolane-3-carboxylate (CID 66252301) is methyl 4-(propylamino)oxolane-3-carboxylate.
What is the SMILES notation for methyl 4-(propylamino)oxolane-3-carboxylate?
The canonical SMILES for methyl 4-(propylamino)oxolane-3-carboxylate is CCCNC1COCC1C(=O)OC.
What is the InChIKey of methyl 4-(propylamino)oxolane-3-carboxylate?
The InChIKey is MJIRQMCBTJIYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-4-10-8-6-13-5-7(8)9(11)12-2/h7-8,10H,3-6H2,1-2H3.
What are the key properties of methyl 4-(propylamino)oxolane-3-carboxylate?
methyl 4-(propylamino)oxolane-3-carboxylate has a molecular weight of 187.24 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(propylamino)oxolane-3-carboxylate is sourced from PubChem (CID 66252301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).