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

C13H23NO4 — CID 79894733

IUPAC2-[2,6-dioxaspiro[4.5]decan-9-yl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H23NO4/c1-10(2)14(8-12(15)16)11-3-5-18-13(7-11)4-6-17-9-13/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyHWTHODKOKDYYST-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.12
Rot. Bonds4

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

2-[2,6-dioxaspiro[4.5]decan-9-yl(propan-2-yl)amino]acetic acid (PubChem CID 79894733) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[2,6-dioxaspiro[4.5]decan-9-yl(propan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[2,6-dioxaspiro[4.5]decan-9-yl(propan-2-yl)amino]acetic acid
PubChem CID79894733
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name2-[2,6-dioxaspiro[4.5]decan-9-yl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H23NO4/c1-10(2)14(8-12(15)16)11-3-5-18-13(7-11)4-6-17-9-13/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyHWTHODKOKDYYST-UHFFFAOYSA-N
XLogP1.12
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2,6-dioxaspiro[4.5]decan-9-yl(propan-2-yl)amino]acetic acid with MolForge

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Related Compounds

2-[butan-2-yl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894511
2-[1,9-dioxaspiro[5.5]undecan-4-yl(ethyl)amino]acetic acid
CID 79894049
3-(2,6-dioxaspiro[4.5]decan-9-ylsulfonyl)butanoic acid
CID 79905814
2-[methyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
CID 79894267
2-[carboxymethyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
CID 79893758
(2R)-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)propanoic acid
CID 104875352
2-[carboxymethyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid
CID 79894522
3-[2,6-dioxaspiro[4.5]decan-9-yl(methyl)amino]-2-methylpropanenitrile
CID 79903094
2-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894047
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-1-one
CID 79913667
2-[(4,4-dimethylcycloheptyl)-propan-2-ylamino]acetic acid
CID 65087703
2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-4-methylpentanoic acid
CID 79894126

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dioxaspiro[4.5]decan-9-yl(propan-2-yl)amino]acetic acid?
The IUPAC name of 2-[2,6-dioxaspiro[4.5]decan-9-yl(propan-2-yl)amino]acetic acid (CID 79894733) is 2-[2,6-dioxaspiro[4.5]decan-9-yl(propan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[2,6-dioxaspiro[4.5]decan-9-yl(propan-2-yl)amino]acetic acid?
The canonical SMILES for 2-[2,6-dioxaspiro[4.5]decan-9-yl(propan-2-yl)amino]acetic acid is CC(C)N(CC(=O)O)C1CCOC2(CCOC2)C1.
What is the InChIKey of 2-[2,6-dioxaspiro[4.5]decan-9-yl(propan-2-yl)amino]acetic acid?
The InChIKey is HWTHODKOKDYYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-10(2)14(8-12(15)16)11-3-5-18-13(7-11)4-6-17-9-13/h10-11H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[2,6-dioxaspiro[4.5]decan-9-yl(propan-2-yl)amino]acetic acid?
2-[2,6-dioxaspiro[4.5]decan-9-yl(propan-2-yl)amino]acetic acid has a molecular weight of 257.33 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dioxaspiro[4.5]decan-9-yl(propan-2-yl)amino]acetic acid is sourced from PubChem (CID 79894733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).