2-(4-amino-6-methyloxan-2-yl)acetic acid

C8H15NO3 — CID 143247678

IUPAC2-(4-amino-6-methyloxan-2-yl)acetic acid
SMILESCC1CC(N)CC(CC(=O)O)O1
InChIInChI=1S/C8H15NO3/c1-5-2-6(9)3-7(12-5)4-8(10)11/h5-7H,2-4,9H2,1H3,(H,10,11)
InChIKeyZRFMXWNLVWMUBY-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.36
Rot. Bonds2

About 2-(4-amino-6-methyloxan-2-yl)acetic acid

2-(4-amino-6-methyloxan-2-yl)acetic acid (PubChem CID 143247678) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-(4-amino-6-methyloxan-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-amino-6-methyloxan-2-yl)acetic acid
PubChem CID143247678
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-(4-amino-6-methyloxan-2-yl)acetic acid
SMILESCC1CC(N)CC(CC(=O)O)O1
InChIInChI=1S/C8H15NO3/c1-5-2-6(9)3-7(12-5)4-8(10)11/h5-7H,2-4,9H2,1H3,(H,10,11)
InChIKeyZRFMXWNLVWMUBY-UHFFFAOYSA-N
XLogP0.36
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methyloxan-2-yl)acetic acid?
The IUPAC name of 2-(4-amino-6-methyloxan-2-yl)acetic acid (CID 143247678) is 2-(4-amino-6-methyloxan-2-yl)acetic acid.
What is the SMILES notation for 2-(4-amino-6-methyloxan-2-yl)acetic acid?
The canonical SMILES for 2-(4-amino-6-methyloxan-2-yl)acetic acid is CC1CC(N)CC(CC(=O)O)O1.
What is the InChIKey of 2-(4-amino-6-methyloxan-2-yl)acetic acid?
The InChIKey is ZRFMXWNLVWMUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5-2-6(9)3-7(12-5)4-8(10)11/h5-7H,2-4,9H2,1H3,(H,10,11).
What are the key properties of 2-(4-amino-6-methyloxan-2-yl)acetic acid?
2-(4-amino-6-methyloxan-2-yl)acetic acid has a molecular weight of 173.21 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methyloxan-2-yl)acetic acid is sourced from PubChem (CID 143247678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).