(2R)-3,3-dimethyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid

C9H15N3O4S — CID 102690951

IUPAC(2R)-3,3-dimethyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
SMILESCC(C)(C)[C@@H](NS(=O)(=O)c1ccn[nH]1)C(=O)O
InChIInChI=1S/C9H15N3O4S/c1-9(2,3)7(8(13)14)12-17(15,16)6-4-5-10-11-6/h4-5,7,12H,1-3H3,(H,10,11)(H,13,14)/t7-/m0/s1
InChIKeyKOOJXKBVSJYHID-ZETCQYMHSA-N
MW261.30 g/mol
LogP0.19
Rot. Bonds4

About (2R)-3,3-dimethyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid

(2R)-3,3-dimethyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid (PubChem CID 102690951) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is (2R)-3,3-dimethyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-3,3-dimethyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
PubChem CID102690951
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Name(2R)-3,3-dimethyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
SMILESCC(C)(C)[C@@H](NS(=O)(=O)c1ccn[nH]1)C(=O)O
InChIInChI=1S/C9H15N3O4S/c1-9(2,3)7(8(13)14)12-17(15,16)6-4-5-10-11-6/h4-5,7,12H,1-3H3,(H,10,11)(H,13,14)/t7-/m0/s1
InChIKeyKOOJXKBVSJYHID-ZETCQYMHSA-N
XLogP0.19
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3,3-dimethyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
CID 102690747
3-methyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
CID 102690644
3-hydroxy-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
CID 102690640
(2S)-2-(benzenesulfonamido)-3,3-dimethylbutanoic acid
CID 61142132
3-(1H-pyrazol-5-ylsulfonylamino)butanamide
CID 102693407
methyl 2-phenyl-2-(1H-pyrazol-5-ylsulfonylamino)acetate
CID 102692927
(2S)-5-methoxy-5-oxo-2-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid
CID 114005092
N-(1-hydroxy-4-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 106352662
N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693971
4-phenyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
CID 102690972
(2S)-2-[(2-chloro-3-pyridinyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 61142213
2-[(4-iodophenyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 43468127

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-dimethyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid?
The IUPAC name of (2R)-3,3-dimethyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid (CID 102690951) is (2R)-3,3-dimethyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid.
What is the SMILES notation for (2R)-3,3-dimethyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid?
The canonical SMILES for (2R)-3,3-dimethyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid is CC(C)(C)[C@@H](NS(=O)(=O)c1ccn[nH]1)C(=O)O.
What is the InChIKey of (2R)-3,3-dimethyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid?
The InChIKey is KOOJXKBVSJYHID-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-9(2,3)7(8(13)14)12-17(15,16)6-4-5-10-11-6/h4-5,7,12H,1-3H3,(H,10,11)(H,13,14)/t7-/m0/s1.
What are the key properties of (2R)-3,3-dimethyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid?
(2R)-3,3-dimethyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid has a molecular weight of 261.30 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-dimethyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid is sourced from PubChem (CID 102690951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).