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

C12H24N4O4S — CID 67154441

IUPAC(2S)-2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]butanoic acid
SMILESCN1CCC2(CCCN2S(=O)(=O)NCC[C@H](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)/t10-,12?/m0/s1
InChIKeyYVEAWAVUTWTCIK-NUHJPDEHSA-N
MW320.42 g/mol
LogP-1.21
Rot. Bonds6

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

(2S)-2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]butanoic acid (PubChem CID 67154441) has the molecular formula C12H24N4O4S and a molecular weight of 320.42 g/mol. Its IUPAC name is (2S)-2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]butanoic acid
PubChem CID67154441
Molecular FormulaC12H24N4O4S
Molecular Weight320.42 g/mol
Exact Mass320.15
IUPAC Name(2S)-2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]butanoic acid
SMILESCN1CCC2(CCCN2S(=O)(=O)NCC[C@H](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)/t10-,12?/m0/s1
InChIKeyYVEAWAVUTWTCIK-NUHJPDEHSA-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 (2S)-2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]butanoic acid with MolForge

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Related Compounds

(2S)-2-amino-3-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]propanoic acid
CID 67154360
(2S)-2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]butanoic acid
CID 68307398
(2S)-2-amino-4-[(2,2-dimethylpyrrolidin-1-yl)sulfonylamino]butanoic acid
CID 70945525
2-Amino-4-[(2,2-dimethylpyrrolidin-1-yl)sulfonylamino]butanoic acid
CID 70945526
(2S)-2-amino-4-[methyl-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]amino]butanoic acid
CID 70945563
(2S)-2-amino-4-[[methyl-[2-(1-methylpyrrolidin-2-yl)ethyl]sulfamoyl]amino]butanoic acid
CID 70945565
2-Amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]butanoic acid
CID 77233357
2-Amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]butanoic acid
CID 77473976
(2S)-2-amino-4-[[methyl-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]sulfamoyl]amino]butanoic acid
CID 140599352

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]butanoic acid?
The IUPAC name of (2S)-2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]butanoic acid (CID 67154441) is (2S)-2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]butanoic acid?
The canonical SMILES for (2S)-2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]butanoic acid is CN1CCC2(CCCN2S(=O)(=O)NCC[C@H](N)C(=O)O)C1.
What is the InChIKey of (2S)-2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]butanoic acid?
The InChIKey is YVEAWAVUTWTCIK-NUHJPDEHSA-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)/t10-,12?/m0/s1.
What are the key properties of (2S)-2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]butanoic acid?
(2S)-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 (2S)-2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]butanoic acid is sourced from PubChem (CID 67154441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).