(2S)-5-methoxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]-5-oxopentanoic acid

C10H15N3O6S — CID 104935659

IUPAC(2S)-5-methoxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]-5-oxopentanoic acid
SMILESCOC(=O)CC[C@H](NS(=O)(=O)c1ccnn1C)C(=O)O
InChIInChI=1S/C10H15N3O6S/c1-13-8(5-6-11-13)20(17,18)12-7(10(15)16)3-4-9(14)19-2/h5-7,12H,3-4H2,1-2H3,(H,15,16)/t7-/m0/s1
InChIKeyNCBPHTBXBFITGU-ZETCQYMHSA-N
MW305.31 g/mol
LogP-0.90
Rot. Bonds7

About (2S)-5-methoxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]-5-oxopentanoic acid

(2S)-5-methoxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]-5-oxopentanoic acid (PubChem CID 104935659) has the molecular formula C10H15N3O6S and a molecular weight of 305.31 g/mol. Its IUPAC name is (2S)-5-methoxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-methoxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]-5-oxopentanoic acid
PubChem CID104935659
Molecular FormulaC10H15N3O6S
Molecular Weight305.31 g/mol
Exact Mass305.07
IUPAC Name(2S)-5-methoxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]-5-oxopentanoic acid
SMILESCOC(=O)CC[C@H](NS(=O)(=O)c1ccnn1C)C(=O)O
InChIInChI=1S/C10H15N3O6S/c1-13-8(5-6-11-13)20(17,18)12-7(10(15)16)3-4-9(14)19-2/h5-7,12H,3-4H2,1-2H3,(H,15,16)/t7-/m0/s1
InChIKeyNCBPHTBXBFITGU-ZETCQYMHSA-N
XLogP-0.90
TPSA127.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-methoxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-methoxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]-5-oxopentanoic acid (CID 104935659) is (2S)-5-methoxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-methoxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-methoxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]-5-oxopentanoic acid is COC(=O)CC[C@H](NS(=O)(=O)c1ccnn1C)C(=O)O.
What is the InChIKey of (2S)-5-methoxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]-5-oxopentanoic acid?
The InChIKey is NCBPHTBXBFITGU-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15N3O6S/c1-13-8(5-6-11-13)20(17,18)12-7(10(15)16)3-4-9(14)19-2/h5-7,12H,3-4H2,1-2H3,(H,15,16)/t7-/m0/s1.
What are the key properties of (2S)-5-methoxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]-5-oxopentanoic acid?
(2S)-5-methoxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]-5-oxopentanoic acid has a molecular weight of 305.31 g/mol, XLogP of -0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-methoxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]-5-oxopentanoic acid is sourced from PubChem (CID 104935659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).