(2S)-2-amino-3-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]propanoic acid

C11H22N4O4S — CID 67154360

IUPAC(2S)-2-amino-3-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]propanoic acid
SMILESCN1CCC2(CCCN2S(=O)(=O)NC[C@H](N)C(=O)O)C1
InChIInChI=1S/C11H22N4O4S/c1-14-6-4-11(8-14)3-2-5-15(11)20(18,19)13-7-9(12)10(16)17/h9,13H,2-8,12H2,1H3,(H,16,17)/t9-,11?/m0/s1
InChIKeyUKSLHJKEQJQVLM-FTNKSUMCSA-N
MW306.39 g/mol
LogP-1.60
Rot. Bonds5

About (2S)-2-amino-3-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]propanoic acid

(2S)-2-amino-3-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]propanoic acid (PubChem CID 67154360) has the molecular formula C11H22N4O4S and a molecular weight of 306.39 g/mol. Its IUPAC name is (2S)-2-amino-3-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]propanoic acid
PubChem CID67154360
Molecular FormulaC11H22N4O4S
Molecular Weight306.39 g/mol
Exact Mass306.14
IUPAC Name(2S)-2-amino-3-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]propanoic acid
SMILESCN1CCC2(CCCN2S(=O)(=O)NC[C@H](N)C(=O)O)C1
InChIInChI=1S/C11H22N4O4S/c1-14-6-4-11(8-14)3-2-5-15(11)20(18,19)13-7-9(12)10(16)17/h9,13H,2-8,12H2,1H3,(H,16,17)/t9-,11?/m0/s1
InChIKeyUKSLHJKEQJQVLM-FTNKSUMCSA-N
XLogP-1.60
TPSA115.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]propanoic acid (CID 67154360) is (2S)-2-amino-3-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]propanoic acid is CN1CCC2(CCCN2S(=O)(=O)NC[C@H](N)C(=O)O)C1.
What is the InChIKey of (2S)-2-amino-3-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]propanoic acid?
The InChIKey is UKSLHJKEQJQVLM-FTNKSUMCSA-N. The full InChI is InChI=1S/C11H22N4O4S/c1-14-6-4-11(8-14)3-2-5-15(11)20(18,19)13-7-9(12)10(16)17/h9,13H,2-8,12H2,1H3,(H,16,17)/t9-,11?/m0/s1.
What are the key properties of (2S)-2-amino-3-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]propanoic acid?
(2S)-2-amino-3-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]propanoic acid has a molecular weight of 306.39 g/mol, XLogP of -1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 67154360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).