2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]butanoic acid

C12H23N3O4S — CID 77473976

IUPAC2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]butanoic acid
SMILESCN1CCC2(CCCN2S(=O)(=O)CCC(N)C(=O)O)C1
InChIInChI=1S/C12H23N3O4S/c1-14-7-5-12(9-14)4-2-6-15(12)20(18,19)8-3-10(13)11(16)17/h10H,2-9,13H2,1H3,(H,16,17)
InChIKeyGLTRASWEIRVNOZ-UHFFFAOYSA-N
MW305.40 g/mol
LogP-0.71
Rot. Bonds5

About 2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]butanoic acid

2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]butanoic acid (PubChem CID 77473976) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]butanoic acid
PubChem CID77473976
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC Name2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]butanoic acid
SMILESCN1CCC2(CCCN2S(=O)(=O)CCC(N)C(=O)O)C1
InChIInChI=1S/C12H23N3O4S/c1-14-7-5-12(9-14)4-2-6-15(12)20(18,19)8-3-10(13)11(16)17/h10H,2-9,13H2,1H3,(H,16,17)
InChIKeyGLTRASWEIRVNOZ-UHFFFAOYSA-N
XLogP-0.71
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]butanoic acid
CID 67154441
(2S)-2-amino-4-(2,2-dimethylpyrrolidin-1-yl)sulfonylbutanoic acid
CID 67154810
(2S)-2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]butanoic acid
CID 68307398
(2S)-2-amino-4-[methyl-[2-(1-methylpyrrolidin-2-yl)ethyl]sulfamoyl]butanoic acid
CID 70945356
2-Amino-4-(2,2-dimethylpyrrolidin-1-yl)sulfonylbutanoic acid
CID 70945484
(2R)-2-amino-3-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]propanoic acid
CID 70945756
(2R)-2-amino-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpropanoic acid
CID 70945762
2-Amino-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpropanoic acid
CID 70945764
2-Amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]butanoic acid
CID 77233357
2-Amino-4-[methyl-[2-(1-methylpyrrolidin-2-yl)ethyl]sulfamoyl]butanoic acid
CID 77960016
2-[(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)sulfonyl]propanoic acid
CID 54947608
4-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]sulfonyl]butanoic acid
CID 54951960

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]butanoic acid?
The IUPAC name of 2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]butanoic acid (CID 77473976) is 2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]butanoic acid.
What is the SMILES notation for 2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]butanoic acid?
The canonical SMILES for 2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]butanoic acid is CN1CCC2(CCCN2S(=O)(=O)CCC(N)C(=O)O)C1.
What is the InChIKey of 2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]butanoic acid?
The InChIKey is GLTRASWEIRVNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4S/c1-14-7-5-12(9-14)4-2-6-15(12)20(18,19)8-3-10(13)11(16)17/h10H,2-9,13H2,1H3,(H,16,17).
What are the key properties of 2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]butanoic acid?
2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]butanoic acid has a molecular weight of 305.40 g/mol, XLogP of -0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]butanoic acid is sourced from PubChem (CID 77473976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).