2-(2-aminopropanoyl)-2-azaspiro[4.4]nonane-8-carboxylic acid

C12H20N2O3 — CID 71633299

IUPAC2-(2-aminopropanoyl)-2-azaspiro[4.4]nonane-8-carboxylic acid
SMILESCC(N)C(=O)N1CCC2(CCC(C(=O)O)C2)C1
InChIInChI=1S/C12H20N2O3/c1-8(13)10(15)14-5-4-12(7-14)3-2-9(6-12)11(16)17/h8-9H,2-7,13H2,1H3,(H,16,17)
InChIKeyFLVQVZMDVCUHKZ-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.44
Rot. Bonds2

About 2-(2-aminopropanoyl)-2-azaspiro[4.4]nonane-8-carboxylic acid

2-(2-aminopropanoyl)-2-azaspiro[4.4]nonane-8-carboxylic acid (PubChem CID 71633299) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(2-aminopropanoyl)-2-azaspiro[4.4]nonane-8-carboxylic acid.

Molecular Properties

Compound Name2-(2-aminopropanoyl)-2-azaspiro[4.4]nonane-8-carboxylic acid
PubChem CID71633299
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-(2-aminopropanoyl)-2-azaspiro[4.4]nonane-8-carboxylic acid
SMILESCC(N)C(=O)N1CCC2(CCC(C(=O)O)C2)C1
InChIInChI=1S/C12H20N2O3/c1-8(13)10(15)14-5-4-12(7-14)3-2-9(6-12)11(16)17/h8-9H,2-7,13H2,1H3,(H,16,17)
InChIKeyFLVQVZMDVCUHKZ-UHFFFAOYSA-N
XLogP0.44
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]propan-1-one
CID 98084178
(2S)-2-amino-1-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]propan-1-one
CID 129373055
(2S)-2-amino-1-[(5R,8R)-8-(aminomethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one
CID 98084168
2-amino-1-[8-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one
CID 71633303
(2S)-2-amino-1-[(5S,8S)-8-(bromomethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one
CID 129373046
(2S)-2-amino-1-[(5R,8S)-8-(chloromethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one
CID 129373047
(2R)-2-amino-1-(2-azaspiro[4.4]nonan-2-yl)propan-1-one
CID 130163238
(5S,8S)-2-(2-chloroacetyl)-2-azaspiro[4.4]nonane-8-carboxylic acid
CID 97169116
(2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]-3-methylbutan-1-one
CID 98083841
(2S)-2-amino-1-(2,7-diazaspiro[4.4]nonan-2-yl)propan-1-one;hydrochloride
CID 130927327
(2S)-2-amino-3-methyl-1-[(5S,8R)-8-(sulfanylmethyl)-2-azaspiro[4.4]nonan-2-yl]butan-1-one
CID 98083835
tert-butyl 8-carbamoyl-2-azaspiro[4.4]nonane-2-carboxylate
CID 167430090

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropanoyl)-2-azaspiro[4.4]nonane-8-carboxylic acid?
The IUPAC name of 2-(2-aminopropanoyl)-2-azaspiro[4.4]nonane-8-carboxylic acid (CID 71633299) is 2-(2-aminopropanoyl)-2-azaspiro[4.4]nonane-8-carboxylic acid.
What is the SMILES notation for 2-(2-aminopropanoyl)-2-azaspiro[4.4]nonane-8-carboxylic acid?
The canonical SMILES for 2-(2-aminopropanoyl)-2-azaspiro[4.4]nonane-8-carboxylic acid is CC(N)C(=O)N1CCC2(CCC(C(=O)O)C2)C1.
What is the InChIKey of 2-(2-aminopropanoyl)-2-azaspiro[4.4]nonane-8-carboxylic acid?
The InChIKey is FLVQVZMDVCUHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8(13)10(15)14-5-4-12(7-14)3-2-9(6-12)11(16)17/h8-9H,2-7,13H2,1H3,(H,16,17).
What are the key properties of 2-(2-aminopropanoyl)-2-azaspiro[4.4]nonane-8-carboxylic acid?
2-(2-aminopropanoyl)-2-azaspiro[4.4]nonane-8-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropanoyl)-2-azaspiro[4.4]nonane-8-carboxylic acid is sourced from PubChem (CID 71633299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).