methyl 3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoate

C10H17NO3 — CID 80719735

IUPACmethyl 3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoate
SMILESCOC(=O)CCNC1CC2CCC1O2
InChIInChI=1S/C10H17NO3/c1-13-10(12)4-5-11-8-6-7-2-3-9(8)14-7/h7-9,11H,2-6H2,1H3
InChIKeyFJZYOWXVNGEGIS-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.46
Rot. Bonds4

About methyl 3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoate

methyl 3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoate (PubChem CID 80719735) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl 3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoate
PubChem CID80719735
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl 3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoate
SMILESCOC(=O)CCNC1CC2CCC1O2
InChIInChI=1S/C10H17NO3/c1-13-10(12)4-5-11-8-6-7-2-3-9(8)14-7/h7-9,11H,2-6H2,1H3
InChIKeyFJZYOWXVNGEGIS-UHFFFAOYSA-N
XLogP0.46
TPSA47.56 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 ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoate?
The IUPAC name of methyl 3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoate (CID 80719735) is methyl 3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoate.
What is the SMILES notation for methyl 3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoate?
The canonical SMILES for methyl 3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoate is COC(=O)CCNC1CC2CCC1O2.
What is the InChIKey of methyl 3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoate?
The InChIKey is FJZYOWXVNGEGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-13-10(12)4-5-11-8-6-7-2-3-9(8)14-7/h7-9,11H,2-6H2,1H3.
What are the key properties of methyl 3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoate?
methyl 3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoate has a molecular weight of 199.25 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoate is sourced from PubChem (CID 80719735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).