3-amino-2-(8-azaspiro[4.5]decan-8-yl)propanoic acid

C12H22N2O2 — CID 64695224

IUPAC3-amino-2-(8-azaspiro[4.5]decan-8-yl)propanoic acid
SMILESNCC(C(=O)O)N1CCC2(CCCC2)CC1
InChIInChI=1S/C12H22N2O2/c13-9-10(11(15)16)14-7-5-12(6-8-14)3-1-2-4-12/h10H,1-9,13H2,(H,15,16)
InChIKeyQUUJIYSHVPSRHD-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.05
Rot. Bonds3

About 3-amino-2-(8-azaspiro[4.5]decan-8-yl)propanoic acid

3-amino-2-(8-azaspiro[4.5]decan-8-yl)propanoic acid (PubChem CID 64695224) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-amino-2-(8-azaspiro[4.5]decan-8-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(8-azaspiro[4.5]decan-8-yl)propanoic acid
PubChem CID64695224
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-amino-2-(8-azaspiro[4.5]decan-8-yl)propanoic acid
SMILESNCC(C(=O)O)N1CCC2(CCCC2)CC1
InChIInChI=1S/C12H22N2O2/c13-9-10(11(15)16)14-7-5-12(6-8-14)3-1-2-4-12/h10H,1-9,13H2,(H,15,16)
InChIKeyQUUJIYSHVPSRHD-UHFFFAOYSA-N
XLogP1.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azaspiro[4.5]decan-8-yl)-3-methoxypropanoic acid
CID 103224740
3-amino-2-(7,7-dimethyl-1,4-thiazepan-4-yl)propanoic acid
CID 107454128
2-(8-azaspiro[4.5]decan-8-yl)butanamide
CID 63159383
2-(3-azaspiro[5.5]undecan-3-yl)butanamide
CID 62921660
4-amino-3-(3-azaspiro[5.5]undecan-3-yl)butanamide
CID 66427333
3-amino-2-(1-oxo-1,4-thiazepan-4-yl)propanoic acid
CID 131123305
3-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)propanoic acid
CID 127018772
3-(8-azaspiro[4.5]decan-8-yl)butanoic acid
CID 63158284
3-amino-2-(2,2-dimethylpyrrolidin-1-yl)propanoic acid
CID 64695632
4-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylbutan-1-one
CID 81079240
2-(8-azaspiro[4.5]decan-8-yl)-3-methylbutan-1-amine
CID 63157149
8-azaspiro[4.5]decan-8-yl(pyrrolidin-1-yl)methanone
CID 115642029

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(8-azaspiro[4.5]decan-8-yl)propanoic acid?
The IUPAC name of 3-amino-2-(8-azaspiro[4.5]decan-8-yl)propanoic acid (CID 64695224) is 3-amino-2-(8-azaspiro[4.5]decan-8-yl)propanoic acid.
What is the SMILES notation for 3-amino-2-(8-azaspiro[4.5]decan-8-yl)propanoic acid?
The canonical SMILES for 3-amino-2-(8-azaspiro[4.5]decan-8-yl)propanoic acid is NCC(C(=O)O)N1CCC2(CCCC2)CC1.
What is the InChIKey of 3-amino-2-(8-azaspiro[4.5]decan-8-yl)propanoic acid?
The InChIKey is QUUJIYSHVPSRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c13-9-10(11(15)16)14-7-5-12(6-8-14)3-1-2-4-12/h10H,1-9,13H2,(H,15,16).
What are the key properties of 3-amino-2-(8-azaspiro[4.5]decan-8-yl)propanoic acid?
3-amino-2-(8-azaspiro[4.5]decan-8-yl)propanoic acid has a molecular weight of 226.32 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(8-azaspiro[4.5]decan-8-yl)propanoic acid is sourced from PubChem (CID 64695224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).