(2S)-4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid

C10H17N3O4S — CID 61154150

IUPAC(2S)-4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
SMILESCC(C)C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O
InChIInChI=1S/C10H17N3O4S/c1-7(2)4-9(10(14)15)12-18(16,17)8-5-11-13(3)6-8/h5-7,9,12H,4H2,1-3H3,(H,14,15)/t9-/m0/s1
InChIKeyUWCBRDIJTTYNAV-VIFPVBQESA-N
MW275.33 g/mol
LogP0.20
Rot. Bonds6

About (2S)-4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid

(2S)-4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid (PubChem CID 61154150) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is (2S)-4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
PubChem CID61154150
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name(2S)-4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
SMILESCC(C)C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O
InChIInChI=1S/C10H17N3O4S/c1-7(2)4-9(10(14)15)12-18(16,17)8-5-11-13(3)6-8/h5-7,9,12H,4H2,1-3H3,(H,14,15)/t9-/m0/s1
InChIKeyUWCBRDIJTTYNAV-VIFPVBQESA-N
XLogP0.20
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
CID 43172812
(2S)-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanedioic acid
CID 113226185
(2S)-4-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 104935052
(2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-methylpentanoic acid
CID 78984885
2-[methyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]acetic acid
CID 119346265
(2S)-3-methyl-2-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoylamino]butanoic acid
CID 119359838
(2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid
CID 28742395
N,N-dimethyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
CID 47034944
2-[[2-[(1-methylpyrazol-4-yl)sulfonylamino]acetyl]amino]propanoic acid
CID 119348503
2-[(5-amino-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid
CID 82222841
(2S)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanoic acid
CID 61155878
(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 28828970

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid (CID 61154150) is (2S)-4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid is CC(C)C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid?
The InChIKey is UWCBRDIJTTYNAV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-7(2)4-9(10(14)15)12-18(16,17)8-5-11-13(3)6-8/h5-7,9,12H,4H2,1-3H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid?
(2S)-4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid has a molecular weight of 275.33 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 61154150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).