methyl 4-amino-4-methyl-3-(oxolan-2-yl)pentanoate

C11H21NO3 — CID 82836802

IUPACmethyl 4-amino-4-methyl-3-(oxolan-2-yl)pentanoate
SMILESCOC(=O)CC(C1CCCO1)C(C)(C)N
InChIInChI=1S/C11H21NO3/c1-11(2,12)8(7-10(13)14-3)9-5-4-6-15-9/h8-9H,4-7,12H2,1-3H3
InChIKeyZGZYRSVTVVLDMG-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.08
Rot. Bonds4

About methyl 4-amino-4-methyl-3-(oxolan-2-yl)pentanoate

methyl 4-amino-4-methyl-3-(oxolan-2-yl)pentanoate (PubChem CID 82836802) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 4-amino-4-methyl-3-(oxolan-2-yl)pentanoate.

Molecular Properties

Compound Namemethyl 4-amino-4-methyl-3-(oxolan-2-yl)pentanoate
PubChem CID82836802
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 4-amino-4-methyl-3-(oxolan-2-yl)pentanoate
SMILESCOC(=O)CC(C1CCCO1)C(C)(C)N
InChIInChI=1S/C11H21NO3/c1-11(2,12)8(7-10(13)14-3)9-5-4-6-15-9/h8-9H,4-7,12H2,1-3H3
InChIKeyZGZYRSVTVVLDMG-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-4-methyl-3-(oxolan-2-yl)pentanoate?
The IUPAC name of methyl 4-amino-4-methyl-3-(oxolan-2-yl)pentanoate (CID 82836802) is methyl 4-amino-4-methyl-3-(oxolan-2-yl)pentanoate.
What is the SMILES notation for methyl 4-amino-4-methyl-3-(oxolan-2-yl)pentanoate?
The canonical SMILES for methyl 4-amino-4-methyl-3-(oxolan-2-yl)pentanoate is COC(=O)CC(C1CCCO1)C(C)(C)N.
What is the InChIKey of methyl 4-amino-4-methyl-3-(oxolan-2-yl)pentanoate?
The InChIKey is ZGZYRSVTVVLDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2,12)8(7-10(13)14-3)9-5-4-6-15-9/h8-9H,4-7,12H2,1-3H3.
What are the key properties of methyl 4-amino-4-methyl-3-(oxolan-2-yl)pentanoate?
methyl 4-amino-4-methyl-3-(oxolan-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-4-methyl-3-(oxolan-2-yl)pentanoate is sourced from PubChem (CID 82836802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).