2-[8-(methylamino)spiro[4.5]decan-8-yl]acetic acid

C13H23NO2 — CID 114820838

IUPAC2-[8-(methylamino)spiro[4.5]decan-8-yl]acetic acid
SMILESCNC1(CC(=O)O)CCC2(CCCC2)CC1
InChIInChI=1S/C13H23NO2/c1-14-13(10-11(15)16)8-6-12(7-9-13)4-2-3-5-12/h14H,2-10H2,1H3,(H,15,16)
InChIKeyZPZQMSVSNAJYFG-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.55
Rot. Bonds3

About 2-[8-(methylamino)spiro[4.5]decan-8-yl]acetic acid

2-[8-(methylamino)spiro[4.5]decan-8-yl]acetic acid (PubChem CID 114820838) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[8-(methylamino)spiro[4.5]decan-8-yl]acetic acid.

Molecular Properties

Compound Name2-[8-(methylamino)spiro[4.5]decan-8-yl]acetic acid
PubChem CID114820838
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-[8-(methylamino)spiro[4.5]decan-8-yl]acetic acid
SMILESCNC1(CC(=O)O)CCC2(CCCC2)CC1
InChIInChI=1S/C13H23NO2/c1-14-13(10-11(15)16)8-6-12(7-9-13)4-2-3-5-12/h14H,2-10H2,1H3,(H,15,16)
InChIKeyZPZQMSVSNAJYFG-UHFFFAOYSA-N
XLogP2.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[8-(methylamino)spiro[4.5]decan-8-yl]acetate
CID 114820854
2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid
CID 65241615
2-[1-methyl-4-(methylamino)piperidin-4-yl]acetic acid
CID 65236604
N-methyl-2-[1-(methylamino)cyclopropyl]acetamide
CID 123365560
2-[4-(methylamino)-1-phenylpiperidin-4-yl]acetic acid
CID 106821085
2-[4-(methylamino)-1-propan-2-ylazepan-4-yl]acetic acid
CID 65236826
2-[1-(methylamino)-4-propylcycloheptyl]acetic acid
CID 65236883
2-[1-[[2-(methylamino)acetyl]amino]cyclohexyl]acetic acid
CID 64684909
2-[8-(ethylamino)spiro[4.5]decan-8-yl]acetamide
CID 114820846
3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid
CID 65242262
N-[1-(hydroxymethyl)cyclopentyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242231
2-(1-formamidocyclopentyl)acetic acid
CID 64672964

Frequently Asked Questions

What is the IUPAC name of 2-[8-(methylamino)spiro[4.5]decan-8-yl]acetic acid?
The IUPAC name of 2-[8-(methylamino)spiro[4.5]decan-8-yl]acetic acid (CID 114820838) is 2-[8-(methylamino)spiro[4.5]decan-8-yl]acetic acid.
What is the SMILES notation for 2-[8-(methylamino)spiro[4.5]decan-8-yl]acetic acid?
The canonical SMILES for 2-[8-(methylamino)spiro[4.5]decan-8-yl]acetic acid is CNC1(CC(=O)O)CCC2(CCCC2)CC1.
What is the InChIKey of 2-[8-(methylamino)spiro[4.5]decan-8-yl]acetic acid?
The InChIKey is ZPZQMSVSNAJYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-14-13(10-11(15)16)8-6-12(7-9-13)4-2-3-5-12/h14H,2-10H2,1H3,(H,15,16).
What are the key properties of 2-[8-(methylamino)spiro[4.5]decan-8-yl]acetic acid?
2-[8-(methylamino)spiro[4.5]decan-8-yl]acetic acid has a molecular weight of 225.33 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(methylamino)spiro[4.5]decan-8-yl]acetic acid is sourced from PubChem (CID 114820838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).