2-amino-3-(cyclopentylsulfamoyl)propanoic acid

C8H16N2O4S — CID 70945571

IUPAC2-amino-3-(cyclopentylsulfamoyl)propanoic acid
SMILESNC(CS(=O)(=O)NC1CCCC1)C(=O)O
InChIInChI=1S/C8H16N2O4S/c9-7(8(11)12)5-15(13,14)10-6-3-1-2-4-6/h6-7,10H,1-5,9H2,(H,11,12)
InChIKeyUDTCTNKBSKBCLE-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.74
Rot. Bonds5

About 2-amino-3-(cyclopentylsulfamoyl)propanoic acid

2-amino-3-(cyclopentylsulfamoyl)propanoic acid (PubChem CID 70945571) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-amino-3-(cyclopentylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(cyclopentylsulfamoyl)propanoic acid
PubChem CID70945571
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name2-amino-3-(cyclopentylsulfamoyl)propanoic acid
SMILESNC(CS(=O)(=O)NC1CCCC1)C(=O)O
InChIInChI=1S/C8H16N2O4S/c9-7(8(11)12)5-15(13,14)10-6-3-1-2-4-6/h6-7,10H,1-5,9H2,(H,11,12)
InChIKeyUDTCTNKBSKBCLE-UHFFFAOYSA-N
XLogP-0.74
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(cyclopentylsulfamoyl)propanoic acid?
The IUPAC name of 2-amino-3-(cyclopentylsulfamoyl)propanoic acid (CID 70945571) is 2-amino-3-(cyclopentylsulfamoyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(cyclopentylsulfamoyl)propanoic acid?
The canonical SMILES for 2-amino-3-(cyclopentylsulfamoyl)propanoic acid is NC(CS(=O)(=O)NC1CCCC1)C(=O)O.
What is the InChIKey of 2-amino-3-(cyclopentylsulfamoyl)propanoic acid?
The InChIKey is UDTCTNKBSKBCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c9-7(8(11)12)5-15(13,14)10-6-3-1-2-4-6/h6-7,10H,1-5,9H2,(H,11,12).
What are the key properties of 2-amino-3-(cyclopentylsulfamoyl)propanoic acid?
2-amino-3-(cyclopentylsulfamoyl)propanoic acid has a molecular weight of 236.29 g/mol, XLogP of -0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(cyclopentylsulfamoyl)propanoic acid is sourced from PubChem (CID 70945571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).