(2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanedioic acid

C10H15N3O6S — CID 61145220

IUPAC(2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanedioic acid
SMILESCc1n[nH]c(C)c1S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C10H15N3O6S/c1-5-9(6(2)12-11-5)20(18,19)13-7(10(16)17)3-4-8(14)15/h7,13H,3-4H2,1-2H3,(H,11,12)(H,14,15)(H,16,17)/t7-/m0/s1
InChIKeyGEWJHKMXGBEQFM-ZETCQYMHSA-N
MW305.31 g/mol
LogP-0.38
Rot. Bonds7

About (2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanedioic acid

(2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanedioic acid (PubChem CID 61145220) has the molecular formula C10H15N3O6S and a molecular weight of 305.31 g/mol. Its IUPAC name is (2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanedioic acid
PubChem CID61145220
Molecular FormulaC10H15N3O6S
Molecular Weight305.31 g/mol
Exact Mass305.07
IUPAC Name(2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanedioic acid
SMILESCc1n[nH]c(C)c1S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C10H15N3O6S/c1-5-9(6(2)12-11-5)20(18,19)13-7(10(16)17)3-4-8(14)15/h7,13H,3-4H2,1-2H3,(H,11,12)(H,14,15)(H,16,17)/t7-/m0/s1
InChIKeyGEWJHKMXGBEQFM-ZETCQYMHSA-N
XLogP-0.38
TPSA149.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-4,4-difluorobutanoic acid
CID 146081224
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetic acid
CID 16767665
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-methylbutanoic acid
CID 16767676
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-hydroxybutanoic acid
CID 16767689
6-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]hexanoic acid
CID 16767781
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid
CID 16767958
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetic acid
CID 16767981
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid
CID 16767986
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 16768068
3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid
CID 16768346
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid
CID 16768408
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]butanoic acid
CID 16768477

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanedioic acid?
The IUPAC name of (2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanedioic acid (CID 61145220) is (2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanedioic acid?
The canonical SMILES for (2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanedioic acid is Cc1n[nH]c(C)c1S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanedioic acid?
The InChIKey is GEWJHKMXGBEQFM-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15N3O6S/c1-5-9(6(2)12-11-5)20(18,19)13-7(10(16)17)3-4-8(14)15/h7,13H,3-4H2,1-2H3,(H,11,12)(H,14,15)(H,16,17)/t7-/m0/s1.
What are the key properties of (2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanedioic acid?
(2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanedioic acid has a molecular weight of 305.31 g/mol, XLogP of -0.38, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanedioic acid is sourced from PubChem (CID 61145220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).