2-acetamido-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetic acid

C12H19NO5 — CID 79906264

IUPAC2-acetamido-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetic acid
SMILESCC(=O)NC(C(=O)O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C12H19NO5/c1-8(14)13-10(11(15)16)9-2-4-18-12(6-9)3-5-17-7-12/h9-10H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyKNIVXFMOGKPIPL-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.16
Rot. Bonds3

About 2-acetamido-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetic acid

2-acetamido-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetic acid (PubChem CID 79906264) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-acetamido-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetic acid.

Molecular Properties

Compound Name2-acetamido-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetic acid
PubChem CID79906264
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name2-acetamido-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetic acid
SMILESCC(=O)NC(C(=O)O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C12H19NO5/c1-8(14)13-10(11(15)16)9-2-4-18-12(6-9)3-5-17-7-12/h9-10H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyKNIVXFMOGKPIPL-UHFFFAOYSA-N
XLogP0.16
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetic acid?
The IUPAC name of 2-acetamido-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetic acid (CID 79906264) is 2-acetamido-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetic acid.
What is the SMILES notation for 2-acetamido-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetic acid?
The canonical SMILES for 2-acetamido-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetic acid is CC(=O)NC(C(=O)O)C1CCOC2(CCOC2)C1.
What is the InChIKey of 2-acetamido-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetic acid?
The InChIKey is KNIVXFMOGKPIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c1-8(14)13-10(11(15)16)9-2-4-18-12(6-9)3-5-17-7-12/h9-10H,2-7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-acetamido-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetic acid?
2-acetamido-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetic acid has a molecular weight of 257.29 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetic acid is sourced from PubChem (CID 79906264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).