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

C15H27NO4 — CID 79893831

IUPAC2-[1,9-dioxaspiro[5.5]undecan-4-yl(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H27NO4/c1-12(2)10-16(11-14(17)18)13-3-6-20-15(9-13)4-7-19-8-5-15/h12-13H,3-11H2,1-2H3,(H,17,18)
InChIKeyAUYJRNJRPXBWQE-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.76
Rot. Bonds5

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

2-[1,9-dioxaspiro[5.5]undecan-4-yl(2-methylpropyl)amino]acetic acid (PubChem CID 79893831) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-[1,9-dioxaspiro[5.5]undecan-4-yl(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1,9-dioxaspiro[5.5]undecan-4-yl(2-methylpropyl)amino]acetic acid
PubChem CID79893831
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name2-[1,9-dioxaspiro[5.5]undecan-4-yl(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H27NO4/c1-12(2)10-16(11-14(17)18)13-3-6-20-15(9-13)4-7-19-8-5-15/h12-13H,3-11H2,1-2H3,(H,17,18)
InChIKeyAUYJRNJRPXBWQE-UHFFFAOYSA-N
XLogP1.76
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-[Cyclopropylmethyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid
CID 65054792
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

Frequently Asked Questions

What is the IUPAC name of 2-[1,9-dioxaspiro[5.5]undecan-4-yl(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[1,9-dioxaspiro[5.5]undecan-4-yl(2-methylpropyl)amino]acetic acid (CID 79893831) is 2-[1,9-dioxaspiro[5.5]undecan-4-yl(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[1,9-dioxaspiro[5.5]undecan-4-yl(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[1,9-dioxaspiro[5.5]undecan-4-yl(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 2-[1,9-dioxaspiro[5.5]undecan-4-yl(2-methylpropyl)amino]acetic acid?
The InChIKey is AUYJRNJRPXBWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-12(2)10-16(11-14(17)18)13-3-6-20-15(9-13)4-7-19-8-5-15/h12-13H,3-11H2,1-2H3,(H,17,18).
What are the key properties of 2-[1,9-dioxaspiro[5.5]undecan-4-yl(2-methylpropyl)amino]acetic acid?
2-[1,9-dioxaspiro[5.5]undecan-4-yl(2-methylpropyl)amino]acetic acid has a molecular weight of 285.38 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,9-dioxaspiro[5.5]undecan-4-yl(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 79893831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).