methyl 4-amino-3-(5-methyloxolan-2-yl)pentanoate

C11H21NO3 — CID 82839267

IUPACmethyl 4-amino-3-(5-methyloxolan-2-yl)pentanoate
SMILESCOC(=O)CC(C(C)N)C1CCC(C)O1
InChIInChI=1S/C11H21NO3/c1-7-4-5-10(15-7)9(8(2)12)6-11(13)14-3/h7-10H,4-6,12H2,1-3H3
InChIKeyYEAQIJHIRIISFR-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.08
Rot. Bonds4

About methyl 4-amino-3-(5-methyloxolan-2-yl)pentanoate

methyl 4-amino-3-(5-methyloxolan-2-yl)pentanoate (PubChem CID 82839267) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 4-amino-3-(5-methyloxolan-2-yl)pentanoate.

Molecular Properties

Compound Namemethyl 4-amino-3-(5-methyloxolan-2-yl)pentanoate
PubChem CID82839267
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 4-amino-3-(5-methyloxolan-2-yl)pentanoate
SMILESCOC(=O)CC(C(C)N)C1CCC(C)O1
InChIInChI=1S/C11H21NO3/c1-7-4-5-10(15-7)9(8(2)12)6-11(13)14-3/h7-10H,4-6,12H2,1-3H3
InChIKeyYEAQIJHIRIISFR-UHFFFAOYSA-N
XLogP1.08
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-(5-methyloxolan-2-yl)pentanoate?
The IUPAC name of methyl 4-amino-3-(5-methyloxolan-2-yl)pentanoate (CID 82839267) is methyl 4-amino-3-(5-methyloxolan-2-yl)pentanoate.
What is the SMILES notation for methyl 4-amino-3-(5-methyloxolan-2-yl)pentanoate?
The canonical SMILES for methyl 4-amino-3-(5-methyloxolan-2-yl)pentanoate is COC(=O)CC(C(C)N)C1CCC(C)O1.
What is the InChIKey of methyl 4-amino-3-(5-methyloxolan-2-yl)pentanoate?
The InChIKey is YEAQIJHIRIISFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-7-4-5-10(15-7)9(8(2)12)6-11(13)14-3/h7-10H,4-6,12H2,1-3H3.
What are the key properties of methyl 4-amino-3-(5-methyloxolan-2-yl)pentanoate?
methyl 4-amino-3-(5-methyloxolan-2-yl)pentanoate has a molecular weight of 215.29 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-(5-methyloxolan-2-yl)pentanoate is sourced from PubChem (CID 82839267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).