2-[1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-yl]acetic acid

C15H25NO3 — CID 79894445

IUPAC2-[1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C2CCOC3(CCCCC3)C2)C1
InChIInChI=1S/C15H25NO3/c17-14(18)8-12-10-16(11-12)13-4-7-19-15(9-13)5-2-1-3-6-15/h12-13H,1-11H2,(H,17,18)
InChIKeyKQJADJSEIVZMQC-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.27
Rot. Bonds3

About 2-[1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-yl]acetic acid

2-[1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-yl]acetic acid (PubChem CID 79894445) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-yl]acetic acid
PubChem CID79894445
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-[1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C2CCOC3(CCCCC3)C2)C1
InChIInChI=1S/C15H25NO3/c17-14(18)8-12-10-16(11-12)13-4-7-19-15(9-13)5-2-1-3-6-15/h12-13H,1-11H2,(H,17,18)
InChIKeyKQJADJSEIVZMQC-UHFFFAOYSA-N
XLogP2.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]acetic acid
CID 79902227
2-[1-(2,6-dioxaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid
CID 79893611
1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-amine
CID 79900905
2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]acetic acid
CID 79901134
2-[[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814138
[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-3-yl]methanamine
CID 79902247
1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylic acid
CID 79894727
1-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone
CID 79906102
2-[1-(2,2-dimethyloxan-4-yl)piperidin-3-yl]acetic acid
CID 65060205
methyl (3S)-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-3-carboxylate
CID 115537477
N-methyl-1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
CID 79900888
1-(1-oxaspiro[5.5]undecan-4-yl)propan-2-one
CID 79894719

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-yl]acetic acid (CID 79894445) is 2-[1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-yl]acetic acid is O=C(O)CC1CN(C2CCOC3(CCCCC3)C2)C1.
What is the InChIKey of 2-[1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-yl]acetic acid?
The InChIKey is KQJADJSEIVZMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c17-14(18)8-12-10-16(11-12)13-4-7-19-15(9-13)5-2-1-3-6-15/h12-13H,1-11H2,(H,17,18).
What are the key properties of 2-[1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-yl]acetic acid?
2-[1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-yl]acetic acid has a molecular weight of 267.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 79894445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).