ethyl 2-(oxan-4-ylamino)acetate

C9H17NO3 — CID 43610081

IUPACethyl 2-(oxan-4-ylamino)acetate
SMILESCCOC(=O)CNC1CCOCC1
InChIInChI=1S/C9H17NO3/c1-2-13-9(11)7-10-8-3-5-12-6-4-8/h8,10H,2-7H2,1H3
InChIKeyPPVCWFFTBXMYSQ-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.32
Rot. Bonds4

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

ethyl 2-(oxan-4-ylamino)acetate (PubChem CID 43610081) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethyl 2-(oxan-4-ylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(oxan-4-ylamino)acetate
PubChem CID43610081
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameethyl 2-(oxan-4-ylamino)acetate
SMILESCCOC(=O)CNC1CCOCC1
InChIInChI=1S/C9H17NO3/c1-2-13-9(11)7-10-8-3-5-12-6-4-8/h8,10H,2-7H2,1H3
InChIKeyPPVCWFFTBXMYSQ-UHFFFAOYSA-N
XLogP0.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-[(oxan-4-yl)amino]acetate
CID 43608326
Methyl 3-((oxan-4-yl)amino)propanoate
CID 43608622
Tert-butyl 2-[(oxan-4-yl)amino]acetate
CID 60824821
Ethyl N-butan-2-ylglycinate
CID 20476728
ethyl 2-[[(4S)-oxepan-4-yl]amino]acetate
CID 96928243
methyl 2-[[(1S)-1-(oxan-4-yl)ethyl]amino]acetate
CID 97610090
Ethyl 2-(cyclohexylamino)acetate
CID 11679939
Ethyl 2-(propylamino)propanoate
CID 20476723
2-(Oxan-4-ylamino)acetic acid;hydrochloride
CID 177798968
ethyl (2S)-2-[(3-ethoxy-3-oxopropyl)amino]propanoate
CID 163338229
Ethyl piperidin-4-ylglycinate
CID 11252425
Ethyl 2-(butan-2-ylamino)propanoate
CID 12328797

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(oxan-4-ylamino)acetate?
The IUPAC name of ethyl 2-(oxan-4-ylamino)acetate (CID 43610081) is ethyl 2-(oxan-4-ylamino)acetate.
What is the SMILES notation for ethyl 2-(oxan-4-ylamino)acetate?
The canonical SMILES for ethyl 2-(oxan-4-ylamino)acetate is CCOC(=O)CNC1CCOCC1.
What is the InChIKey of ethyl 2-(oxan-4-ylamino)acetate?
The InChIKey is PPVCWFFTBXMYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-13-9(11)7-10-8-3-5-12-6-4-8/h8,10H,2-7H2,1H3.
What are the key properties of ethyl 2-(oxan-4-ylamino)acetate?
ethyl 2-(oxan-4-ylamino)acetate has a molecular weight of 187.24 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(oxan-4-ylamino)acetate is sourced from PubChem (CID 43610081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).