2-(oxane-4-carbonylamino)acetic acid

C8H13NO4 — CID 28777665

IUPAC2-(oxane-4-carbonylamino)acetic acid
SMILESO=C(O)CNC(=O)C1CCOCC1
InChIInChI=1S/C8H13NO4/c10-7(11)5-9-8(12)6-1-3-13-4-2-6/h6H,1-5H2,(H,9,12)(H,10,11)
InChIKeySPNLQHQUMYYRHB-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.39
Rot. Bonds3

About 2-(oxane-4-carbonylamino)acetic acid

2-(oxane-4-carbonylamino)acetic acid (PubChem CID 28777665) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-(oxane-4-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-(oxane-4-carbonylamino)acetic acid
PubChem CID28777665
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-(oxane-4-carbonylamino)acetic acid
SMILESO=C(O)CNC(=O)C1CCOCC1
InChIInChI=1S/C8H13NO4/c10-7(11)5-9-8(12)6-1-3-13-4-2-6/h6H,1-5H2,(H,9,12)(H,10,11)
InChIKeySPNLQHQUMYYRHB-UHFFFAOYSA-N
XLogP-0.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxane-4-carbonylamino)acetic acid?
The IUPAC name of 2-(oxane-4-carbonylamino)acetic acid (CID 28777665) is 2-(oxane-4-carbonylamino)acetic acid.
What is the SMILES notation for 2-(oxane-4-carbonylamino)acetic acid?
The canonical SMILES for 2-(oxane-4-carbonylamino)acetic acid is O=C(O)CNC(=O)C1CCOCC1.
What is the InChIKey of 2-(oxane-4-carbonylamino)acetic acid?
The InChIKey is SPNLQHQUMYYRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c10-7(11)5-9-8(12)6-1-3-13-4-2-6/h6H,1-5H2,(H,9,12)(H,10,11).
What are the key properties of 2-(oxane-4-carbonylamino)acetic acid?
2-(oxane-4-carbonylamino)acetic acid has a molecular weight of 187.19 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxane-4-carbonylamino)acetic acid is sourced from PubChem (CID 28777665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).