methyl 3-[(3-methoxy-3-oxopropyl)amino]oxolane-3-carboxylate

C10H17NO5 — CID 146980754

IUPACmethyl 3-[(3-methoxy-3-oxopropyl)amino]oxolane-3-carboxylate
SMILESCOC(=O)CCNC1(C(=O)OC)CCOC1
InChIInChI=1S/C10H17NO5/c1-14-8(12)3-5-11-10(9(13)15-2)4-6-16-7-10/h11H,3-7H2,1-2H3
InChIKeyAOGLXGVNMRGTFI-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.53
Rot. Bonds5

About methyl 3-[(3-methoxy-3-oxopropyl)amino]oxolane-3-carboxylate

methyl 3-[(3-methoxy-3-oxopropyl)amino]oxolane-3-carboxylate (PubChem CID 146980754) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is methyl 3-[(3-methoxy-3-oxopropyl)amino]oxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-methoxy-3-oxopropyl)amino]oxolane-3-carboxylate
PubChem CID146980754
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Namemethyl 3-[(3-methoxy-3-oxopropyl)amino]oxolane-3-carboxylate
SMILESCOC(=O)CCNC1(C(=O)OC)CCOC1
InChIInChI=1S/C10H17NO5/c1-14-8(12)3-5-11-10(9(13)15-2)4-6-16-7-10/h11H,3-7H2,1-2H3
InChIKeyAOGLXGVNMRGTFI-UHFFFAOYSA-N
XLogP-0.53
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-methoxy-3-oxopropyl)amino]oxolane-3-carboxylate?
The IUPAC name of methyl 3-[(3-methoxy-3-oxopropyl)amino]oxolane-3-carboxylate (CID 146980754) is methyl 3-[(3-methoxy-3-oxopropyl)amino]oxolane-3-carboxylate.
What is the SMILES notation for methyl 3-[(3-methoxy-3-oxopropyl)amino]oxolane-3-carboxylate?
The canonical SMILES for methyl 3-[(3-methoxy-3-oxopropyl)amino]oxolane-3-carboxylate is COC(=O)CCNC1(C(=O)OC)CCOC1.
What is the InChIKey of methyl 3-[(3-methoxy-3-oxopropyl)amino]oxolane-3-carboxylate?
The InChIKey is AOGLXGVNMRGTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-14-8(12)3-5-11-10(9(13)15-2)4-6-16-7-10/h11H,3-7H2,1-2H3.
What are the key properties of methyl 3-[(3-methoxy-3-oxopropyl)amino]oxolane-3-carboxylate?
methyl 3-[(3-methoxy-3-oxopropyl)amino]oxolane-3-carboxylate has a molecular weight of 231.25 g/mol, XLogP of -0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-methoxy-3-oxopropyl)amino]oxolane-3-carboxylate is sourced from PubChem (CID 146980754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).