(2S)-2-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid

C9H15N3O4S — CID 104934808

IUPAC(2S)-2-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid
SMILESCCC[C@H](NS(=O)(=O)c1ccnn1C)C(=O)O
InChIInChI=1S/C9H15N3O4S/c1-3-4-7(9(13)14)11-17(15,16)8-5-6-10-12(8)2/h5-7,11H,3-4H2,1-2H3,(H,13,14)/t7-/m0/s1
InChIKeyLTFLPFHIMWSCOB-ZETCQYMHSA-N
MW261.30 g/mol
LogP-0.05
Rot. Bonds6

About (2S)-2-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid

(2S)-2-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid (PubChem CID 104934808) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is (2S)-2-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid
PubChem CID104934808
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Name(2S)-2-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid
SMILESCCC[C@H](NS(=O)(=O)c1ccnn1C)C(=O)O
InChIInChI=1S/C9H15N3O4S/c1-3-4-7(9(13)14)11-17(15,16)8-5-6-10-12(8)2/h5-7,11H,3-4H2,1-2H3,(H,13,14)/t7-/m0/s1
InChIKeyLTFLPFHIMWSCOB-ZETCQYMHSA-N
XLogP-0.05
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid?
The IUPAC name of (2S)-2-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid (CID 104934808) is (2S)-2-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid?
The canonical SMILES for (2S)-2-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid is CCC[C@H](NS(=O)(=O)c1ccnn1C)C(=O)O.
What is the InChIKey of (2S)-2-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid?
The InChIKey is LTFLPFHIMWSCOB-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-3-4-7(9(13)14)11-17(15,16)8-5-6-10-12(8)2/h5-7,11H,3-4H2,1-2H3,(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid?
(2S)-2-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid has a molecular weight of 261.30 g/mol, XLogP of -0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 104934808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).