methyl 2-(3-aminooxan-3-yl)propanoate

C9H17NO3 — CID 118341582

IUPACmethyl 2-(3-aminooxan-3-yl)propanoate
SMILESCOC(=O)C(C)C1(N)CCCOC1
InChIInChI=1S/C9H17NO3/c1-7(8(11)12-2)9(10)4-3-5-13-6-9/h7H,3-6,10H2,1-2H3
InChIKeyJSORQCALOHDEKB-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.30
Rot. Bonds2

About methyl 2-(3-aminooxan-3-yl)propanoate

methyl 2-(3-aminooxan-3-yl)propanoate (PubChem CID 118341582) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 2-(3-aminooxan-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-aminooxan-3-yl)propanoate
PubChem CID118341582
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 2-(3-aminooxan-3-yl)propanoate
SMILESCOC(=O)C(C)C1(N)CCCOC1
InChIInChI=1S/C9H17NO3/c1-7(8(11)12-2)9(10)4-3-5-13-6-9/h7H,3-6,10H2,1-2H3
InChIKeyJSORQCALOHDEKB-UHFFFAOYSA-N
XLogP0.30
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-aminooxan-3-yl)propanoate?
The IUPAC name of methyl 2-(3-aminooxan-3-yl)propanoate (CID 118341582) is methyl 2-(3-aminooxan-3-yl)propanoate.
What is the SMILES notation for methyl 2-(3-aminooxan-3-yl)propanoate?
The canonical SMILES for methyl 2-(3-aminooxan-3-yl)propanoate is COC(=O)C(C)C1(N)CCCOC1.
What is the InChIKey of methyl 2-(3-aminooxan-3-yl)propanoate?
The InChIKey is JSORQCALOHDEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(8(11)12-2)9(10)4-3-5-13-6-9/h7H,3-6,10H2,1-2H3.
What are the key properties of methyl 2-(3-aminooxan-3-yl)propanoate?
methyl 2-(3-aminooxan-3-yl)propanoate has a molecular weight of 187.24 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-aminooxan-3-yl)propanoate is sourced from PubChem (CID 118341582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).