2-[1,9-dioxaspiro[5.5]undecan-4-yl(2-methoxyethyl)amino]acetic acid

C14H25NO5 — CID 79893825

IUPAC2-[1,9-dioxaspiro[5.5]undecan-4-yl(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H25NO5/c1-18-9-5-15(11-13(16)17)12-2-6-20-14(10-12)3-7-19-8-4-14/h12H,2-11H2,1H3,(H,16,17)
InChIKeyHBNBURVYXLQZGZ-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.75
Rot. Bonds6

About 2-[1,9-dioxaspiro[5.5]undecan-4-yl(2-methoxyethyl)amino]acetic acid

2-[1,9-dioxaspiro[5.5]undecan-4-yl(2-methoxyethyl)amino]acetic acid (PubChem CID 79893825) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[1,9-dioxaspiro[5.5]undecan-4-yl(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1,9-dioxaspiro[5.5]undecan-4-yl(2-methoxyethyl)amino]acetic acid
PubChem CID79893825
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name2-[1,9-dioxaspiro[5.5]undecan-4-yl(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H25NO5/c1-18-9-5-15(11-13(16)17)12-2-6-20-14(10-12)3-7-19-8-4-14/h12H,2-11H2,1H3,(H,16,17)
InChIKeyHBNBURVYXLQZGZ-UHFFFAOYSA-N
XLogP0.75
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1,9-Dioxaspiro[5.5]undecan-4-yl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79902936
2-[4-(2-Ethyl-2-methyloxan-4-yl)piperazin-1-yl]acetic acid
CID 65055333
2-[(2-Ethyl-2-methyloxan-4-yl)-methylamino]acetic acid
CID 65056226
2-[(2-Ethyl-2-methyloxan-4-yl)-propan-2-ylamino]acetic acid
CID 65056936
2-[Cyclopropyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid
CID 65057470
2-[Butan-2-yl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid
CID 65057928
2-[Cyclopentyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid
CID 65058256
2-[(2-Ethyl-2-methyloxan-4-yl)-methylamino]propanoic acid
CID 65059831
2-[Ethyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid
CID 65063584
2-[(2-Ethyl-2-methyloxan-4-yl)-(2-methylpropyl)amino]acetic acid
CID 65065066
2-[(2-Ethyl-2-methyloxan-4-yl)-propylamino]acetic acid
CID 65065073
2-[Carboxymethyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid
CID 65065730

Frequently Asked Questions

What is the IUPAC name of 2-[1,9-dioxaspiro[5.5]undecan-4-yl(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[1,9-dioxaspiro[5.5]undecan-4-yl(2-methoxyethyl)amino]acetic acid (CID 79893825) is 2-[1,9-dioxaspiro[5.5]undecan-4-yl(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[1,9-dioxaspiro[5.5]undecan-4-yl(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[1,9-dioxaspiro[5.5]undecan-4-yl(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 2-[1,9-dioxaspiro[5.5]undecan-4-yl(2-methoxyethyl)amino]acetic acid?
The InChIKey is HBNBURVYXLQZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-18-9-5-15(11-13(16)17)12-2-6-20-14(10-12)3-7-19-8-4-14/h12H,2-11H2,1H3,(H,16,17).
What are the key properties of 2-[1,9-dioxaspiro[5.5]undecan-4-yl(2-methoxyethyl)amino]acetic acid?
2-[1,9-dioxaspiro[5.5]undecan-4-yl(2-methoxyethyl)amino]acetic acid has a molecular weight of 287.36 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,9-dioxaspiro[5.5]undecan-4-yl(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 79893825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).