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

C11H21N3O4S — CID 70945756

IUPAC(2R)-2-amino-3-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]propanoic acid
SMILESCN1CCC2(CCCN2S(=O)(=O)C[C@H](N)C(=O)O)C1
InChIInChI=1S/C11H21N3O4S/c1-13-6-4-11(8-13)3-2-5-14(11)19(17,18)7-9(12)10(15)16/h9H,2-8,12H2,1H3,(H,15,16)/t9-,11?/m0/s1
InChIKeyDENWTEZQTZSDGD-FTNKSUMCSA-N
MW291.37 g/mol
LogP-1.10
Rot. Bonds4

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

(2R)-2-amino-3-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]propanoic acid (PubChem CID 70945756) has the molecular formula C11H21N3O4S and a molecular weight of 291.37 g/mol. Its IUPAC name is (2R)-2-amino-3-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]propanoic acid
PubChem CID70945756
Molecular FormulaC11H21N3O4S
Molecular Weight291.37 g/mol
Exact Mass291.13
IUPAC Name(2R)-2-amino-3-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]propanoic acid
SMILESCN1CCC2(CCCN2S(=O)(=O)C[C@H](N)C(=O)O)C1
InChIInChI=1S/C11H21N3O4S/c1-13-6-4-11(8-13)3-2-5-14(11)19(17,18)7-9(12)10(15)16/h9H,2-8,12H2,1H3,(H,15,16)/t9-,11?/m0/s1
InChIKeyDENWTEZQTZSDGD-FTNKSUMCSA-N
XLogP-1.10
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]propanoic acid (CID 70945756) is (2R)-2-amino-3-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]propanoic acid is CN1CCC2(CCCN2S(=O)(=O)C[C@H](N)C(=O)O)C1.
What is the InChIKey of (2R)-2-amino-3-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]propanoic acid?
The InChIKey is DENWTEZQTZSDGD-FTNKSUMCSA-N. The full InChI is InChI=1S/C11H21N3O4S/c1-13-6-4-11(8-13)3-2-5-14(11)19(17,18)7-9(12)10(15)16/h9H,2-8,12H2,1H3,(H,15,16)/t9-,11?/m0/s1.
What are the key properties of (2R)-2-amino-3-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]propanoic acid?
(2R)-2-amino-3-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]propanoic acid has a molecular weight of 291.37 g/mol, XLogP of -1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]propanoic acid is sourced from PubChem (CID 70945756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).