2-[(1-spiro[3.5]nonan-3-ylpiperidin-3-yl)methylamino]acetic acid

C17H30N2O2 — CID 106813964

IUPAC2-[(1-spiro[3.5]nonan-3-ylpiperidin-3-yl)methylamino]acetic acid
SMILESO=C(O)CNCC1CCCN(C2CCC23CCCCC3)C1
InChIInChI=1S/C17H30N2O2/c20-16(21)12-18-11-14-5-4-10-19(13-14)15-6-9-17(15)7-2-1-3-8-17/h14-15,18H,1-13H2,(H,20,21)
InChIKeyJGBUTKCXOFMRGU-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.49
Rot. Bonds5

About 2-[(1-spiro[3.5]nonan-3-ylpiperidin-3-yl)methylamino]acetic acid

2-[(1-spiro[3.5]nonan-3-ylpiperidin-3-yl)methylamino]acetic acid (PubChem CID 106813964) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[(1-spiro[3.5]nonan-3-ylpiperidin-3-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-spiro[3.5]nonan-3-ylpiperidin-3-yl)methylamino]acetic acid
PubChem CID106813964
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-[(1-spiro[3.5]nonan-3-ylpiperidin-3-yl)methylamino]acetic acid
SMILESO=C(O)CNCC1CCCN(C2CCC23CCCCC3)C1
InChIInChI=1S/C17H30N2O2/c20-16(21)12-18-11-14-5-4-10-19(13-14)15-6-9-17(15)7-2-1-3-8-17/h14-15,18H,1-13H2,(H,20,21)
InChIKeyJGBUTKCXOFMRGU-UHFFFAOYSA-N
XLogP2.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-cycloheptylpiperidin-3-yl)methylamino]acetic acid
CID 106814208
2-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814212
2-[[1-(2-hydroxycycloheptyl)piperidin-3-yl]methylamino]acetic acid
CID 106813876
2-[[1-(3,5-dimethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid
CID 106813828
2-[[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814138
2-[[1-(2-ethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid
CID 106814125
2-[3-[(carboxymethylamino)methyl]piperidin-1-yl]propanoic acid
CID 106813990
2-[[1-(cyclohexylmethylsulfonyl)piperidin-3-yl]methylamino]acetic acid;hydrochloride
CID 120727075
2-[[1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813626
2-[[1-(1,1-dioxothiolane-3-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813636
2-(1-cycloheptylpiperidin-3-yl)acetic acid
CID 65060458
2-[[1-(2-methylcyclopentanecarbonyl)piperidin-3-yl]methylamino]acetic acid
CID 107181189

Frequently Asked Questions

What is the IUPAC name of 2-[(1-spiro[3.5]nonan-3-ylpiperidin-3-yl)methylamino]acetic acid?
The IUPAC name of 2-[(1-spiro[3.5]nonan-3-ylpiperidin-3-yl)methylamino]acetic acid (CID 106813964) is 2-[(1-spiro[3.5]nonan-3-ylpiperidin-3-yl)methylamino]acetic acid.
What is the SMILES notation for 2-[(1-spiro[3.5]nonan-3-ylpiperidin-3-yl)methylamino]acetic acid?
The canonical SMILES for 2-[(1-spiro[3.5]nonan-3-ylpiperidin-3-yl)methylamino]acetic acid is O=C(O)CNCC1CCCN(C2CCC23CCCCC3)C1.
What is the InChIKey of 2-[(1-spiro[3.5]nonan-3-ylpiperidin-3-yl)methylamino]acetic acid?
The InChIKey is JGBUTKCXOFMRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c20-16(21)12-18-11-14-5-4-10-19(13-14)15-6-9-17(15)7-2-1-3-8-17/h14-15,18H,1-13H2,(H,20,21).
What are the key properties of 2-[(1-spiro[3.5]nonan-3-ylpiperidin-3-yl)methylamino]acetic acid?
2-[(1-spiro[3.5]nonan-3-ylpiperidin-3-yl)methylamino]acetic acid has a molecular weight of 294.44 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-spiro[3.5]nonan-3-ylpiperidin-3-yl)methylamino]acetic acid is sourced from PubChem (CID 106813964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).