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

C12H24N4O4S — CID 77233357

IUPAC2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]butanoic acid
SMILESCN1CCC2(CCCN2S(=O)(=O)NCCC(N)C(=O)O)C1
InChIInChI=1S/C12H24N4O4S/c1-15-8-5-12(9-15)4-2-7-16(12)21(19,20)14-6-3-10(13)11(17)18/h10,14H,2-9,13H2,1H3,(H,17,18)
InChIKeyYVEAWAVUTWTCIK-UHFFFAOYSA-N
MW320.42 g/mol
LogP-1.21
Rot. Bonds6

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

2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]butanoic acid (PubChem CID 77233357) has the molecular formula C12H24N4O4S and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]butanoic acid
PubChem CID77233357
Molecular FormulaC12H24N4O4S
Molecular Weight320.42 g/mol
Exact Mass320.15
IUPAC Name2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]butanoic acid
SMILESCN1CCC2(CCCN2S(=O)(=O)NCCC(N)C(=O)O)C1
InChIInChI=1S/C12H24N4O4S/c1-15-8-5-12(9-15)4-2-7-16(12)21(19,20)14-6-3-10(13)11(17)18/h10,14H,2-9,13H2,1H3,(H,17,18)
InChIKeyYVEAWAVUTWTCIK-UHFFFAOYSA-N
XLogP-1.21
TPSA115.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]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

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]butanoic acid?
The IUPAC name of 2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]butanoic acid (CID 77233357) is 2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for 2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]butanoic acid?
The canonical SMILES for 2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]butanoic acid is CN1CCC2(CCCN2S(=O)(=O)NCCC(N)C(=O)O)C1.
What is the InChIKey of 2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]butanoic acid?
The InChIKey is YVEAWAVUTWTCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O4S/c1-15-8-5-12(9-15)4-2-7-16(12)21(19,20)14-6-3-10(13)11(17)18/h10,14H,2-9,13H2,1H3,(H,17,18).
What are the key properties of 2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]butanoic acid?
2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]butanoic acid has a molecular weight of 320.42 g/mol, XLogP of -1.21, 6 rotatable bonds, 3 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)sulfonylamino]butanoic acid is sourced from PubChem (CID 77233357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).