2-methyl-2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid

C9H15N3O4S — CID 55123980

IUPAC2-methyl-2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid
SMILESCc1[nH]ncc1S(=O)(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C9H15N3O4S/c1-6-7(5-10-11-6)17(15,16)12(4)9(2,3)8(13)14/h5H,1-4H3,(H,10,11)(H,13,14)
InChIKeyRFMKSOKECMSUKD-UHFFFAOYSA-N
MW261.30 g/mol
LogP0.20
Rot. Bonds4

About 2-methyl-2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid

2-methyl-2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid (PubChem CID 55123980) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid
PubChem CID55123980
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Name2-methyl-2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid
SMILESCc1[nH]ncc1S(=O)(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C9H15N3O4S/c1-6-7(5-10-11-6)17(15,16)12(4)9(2,3)8(13)14/h5H,1-4H3,(H,10,11)(H,13,14)
InChIKeyRFMKSOKECMSUKD-UHFFFAOYSA-N
XLogP0.20
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid (CID 55123980) is 2-methyl-2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid is Cc1[nH]ncc1S(=O)(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid?
The InChIKey is RFMKSOKECMSUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-6-7(5-10-11-6)17(15,16)12(4)9(2,3)8(13)14/h5H,1-4H3,(H,10,11)(H,13,14).
What are the key properties of 2-methyl-2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid?
2-methyl-2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid has a molecular weight of 261.30 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid is sourced from PubChem (CID 55123980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).