2-[[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]methylamino]acetic acid

C16H28N2O3 — CID 106814138

IUPAC2-[[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]methylamino]acetic acid
SMILESO=C(O)CNCC1CCCN(C2CCOC3(CCC3)C2)C1
InChIInChI=1S/C16H28N2O3/c19-15(20)11-17-10-13-3-1-7-18(12-13)14-4-8-21-16(9-14)5-2-6-16/h13-14,17H,1-12H2,(H,19,20)
InChIKeyAJMISALZHLEHSG-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.47
Rot. Bonds5

About 2-[[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]methylamino]acetic acid

2-[[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]methylamino]acetic acid (PubChem CID 106814138) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]methylamino]acetic acid
PubChem CID106814138
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]methylamino]acetic acid
SMILESO=C(O)CNCC1CCCN(C2CCOC3(CCC3)C2)C1
InChIInChI=1S/C16H28N2O3/c19-15(20)11-17-10-13-3-1-7-18(12-13)14-4-8-21-16(9-14)5-2-6-16/h13-14,17H,1-12H2,(H,19,20)
InChIKeyAJMISALZHLEHSG-UHFFFAOYSA-N
XLogP1.47
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]acetic acid
CID 79901134
N-methyl-1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
CID 79900888
2-[1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-yl]acetic acid
CID 79894445
2-[(1-cycloheptylpiperidin-3-yl)methylamino]acetic acid
CID 106814208
2-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]acetic acid
CID 79902227
2-[[1-(3,5-dimethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid
CID 106813828
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-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
CID 79901473
2-[(1-spiro[3.5]nonan-3-ylpiperidin-3-yl)methylamino]acetic acid
CID 106813964
N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-amine
CID 79900305
1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylic acid
CID 79894727

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]methylamino]acetic acid?
The IUPAC name of 2-[[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]methylamino]acetic acid (CID 106814138) is 2-[[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]methylamino]acetic acid is O=C(O)CNCC1CCCN(C2CCOC3(CCC3)C2)C1.
What is the InChIKey of 2-[[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]methylamino]acetic acid?
The InChIKey is AJMISALZHLEHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c19-15(20)11-17-10-13-3-1-7-18(12-13)14-4-8-21-16(9-14)5-2-6-16/h13-14,17H,1-12H2,(H,19,20).
What are the key properties of 2-[[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]methylamino]acetic acid?
2-[[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]methylamino]acetic acid has a molecular weight of 296.41 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]methylamino]acetic acid is sourced from PubChem (CID 106814138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).