methyl 2-(oxan-4-ylamino)acetate

C8H15NO3 — CID 43608326

IUPACmethyl 2-(oxan-4-ylamino)acetate
SMILESCOC(=O)CNC1CCOCC1
InChIInChI=1S/C8H15NO3/c1-11-8(10)6-9-7-2-4-12-5-3-7/h7,9H,2-6H2,1H3
InChIKeyZEMDIXJWXLCFSQ-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.07
Rot. Bonds3

About methyl 2-(oxan-4-ylamino)acetate

methyl 2-(oxan-4-ylamino)acetate (PubChem CID 43608326) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 2-(oxan-4-ylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(oxan-4-ylamino)acetate
PubChem CID43608326
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 2-(oxan-4-ylamino)acetate
SMILESCOC(=O)CNC1CCOCC1
InChIInChI=1S/C8H15NO3/c1-11-8(10)6-9-7-2-4-12-5-3-7/h7,9H,2-6H2,1H3
InChIKeyZEMDIXJWXLCFSQ-UHFFFAOYSA-N
XLogP-0.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(oxan-4-ylamino)acetate?
The IUPAC name of methyl 2-(oxan-4-ylamino)acetate (CID 43608326) is methyl 2-(oxan-4-ylamino)acetate.
What is the SMILES notation for methyl 2-(oxan-4-ylamino)acetate?
The canonical SMILES for methyl 2-(oxan-4-ylamino)acetate is COC(=O)CNC1CCOCC1.
What is the InChIKey of methyl 2-(oxan-4-ylamino)acetate?
The InChIKey is ZEMDIXJWXLCFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-11-8(10)6-9-7-2-4-12-5-3-7/h7,9H,2-6H2,1H3.
What are the key properties of methyl 2-(oxan-4-ylamino)acetate?
methyl 2-(oxan-4-ylamino)acetate has a molecular weight of 173.21 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(oxan-4-ylamino)acetate is sourced from PubChem (CID 43608326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).