(2S)-2-amino-4-(cyclopentylsulfamoyl)butanoic acid

C9H18N2O4S — CID 70945947

IUPAC(2S)-2-amino-4-(cyclopentylsulfamoyl)butanoic acid
SMILESN[C@@H](CCS(=O)(=O)NC1CCCC1)C(=O)O
InChIInChI=1S/C9H18N2O4S/c10-8(9(12)13)5-6-16(14,15)11-7-3-1-2-4-7/h7-8,11H,1-6,10H2,(H,12,13)/t8-/m0/s1
InChIKeyQTSXABICUHBDGM-QMMMGPOBSA-N
MW250.32 g/mol
LogP-0.35
Rot. Bonds6

About (2S)-2-amino-4-(cyclopentylsulfamoyl)butanoic acid

(2S)-2-amino-4-(cyclopentylsulfamoyl)butanoic acid (PubChem CID 70945947) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is (2S)-2-amino-4-(cyclopentylsulfamoyl)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(cyclopentylsulfamoyl)butanoic acid
PubChem CID70945947
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name(2S)-2-amino-4-(cyclopentylsulfamoyl)butanoic acid
SMILESN[C@@H](CCS(=O)(=O)NC1CCCC1)C(=O)O
InChIInChI=1S/C9H18N2O4S/c10-8(9(12)13)5-6-16(14,15)11-7-3-1-2-4-7/h7-8,11H,1-6,10H2,(H,12,13)/t8-/m0/s1
InChIKeyQTSXABICUHBDGM-QMMMGPOBSA-N
XLogP-0.35
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(cyclopentylsulfamoyl)butanoic acid?
The IUPAC name of (2S)-2-amino-4-(cyclopentylsulfamoyl)butanoic acid (CID 70945947) is (2S)-2-amino-4-(cyclopentylsulfamoyl)butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(cyclopentylsulfamoyl)butanoic acid?
The canonical SMILES for (2S)-2-amino-4-(cyclopentylsulfamoyl)butanoic acid is N[C@@H](CCS(=O)(=O)NC1CCCC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(cyclopentylsulfamoyl)butanoic acid?
The InChIKey is QTSXABICUHBDGM-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O4S/c10-8(9(12)13)5-6-16(14,15)11-7-3-1-2-4-7/h7-8,11H,1-6,10H2,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-4-(cyclopentylsulfamoyl)butanoic acid?
(2S)-2-amino-4-(cyclopentylsulfamoyl)butanoic acid has a molecular weight of 250.32 g/mol, XLogP of -0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(cyclopentylsulfamoyl)butanoic acid is sourced from PubChem (CID 70945947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).