2-methyl-2-[4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]pyrazol-1-yl]propanoic acid

C14H24N4O6S — CID 120696279

IUPAC2-methyl-2-[4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]pyrazol-1-yl]propanoic acid
SMILESCC(C)OCCS(=O)(=O)NCC(=O)Nc1cnn(C(C)(C)C(=O)O)c1
InChIInChI=1S/C14H24N4O6S/c1-10(2)24-5-6-25(22,23)16-8-12(19)17-11-7-15-18(9-11)14(3,4)13(20)21/h7,9-10,16H,5-6,8H2,1-4H3,(H,17,19)(H,20,21)
InChIKeyKEORZXWHNLFBEO-UHFFFAOYSA-N
MW376.44 g/mol
LogP-0.01
Rot. Bonds10

About 2-methyl-2-[4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]pyrazol-1-yl]propanoic acid

2-methyl-2-[4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]pyrazol-1-yl]propanoic acid (PubChem CID 120696279) has the molecular formula C14H24N4O6S and a molecular weight of 376.44 g/mol. Its IUPAC name is 2-methyl-2-[4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]pyrazol-1-yl]propanoic acid
PubChem CID120696279
Molecular FormulaC14H24N4O6S
Molecular Weight376.44 g/mol
Exact Mass376.14
IUPAC Name2-methyl-2-[4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]pyrazol-1-yl]propanoic acid
SMILESCC(C)OCCS(=O)(=O)NCC(=O)Nc1cnn(C(C)(C)C(=O)O)c1
InChIInChI=1S/C14H24N4O6S/c1-10(2)24-5-6-25(22,23)16-8-12(19)17-11-7-15-18(9-11)14(3,4)13(20)21/h7,9-10,16H,5-6,8H2,1-4H3,(H,17,19)(H,20,21)
InChIKeyKEORZXWHNLFBEO-UHFFFAOYSA-N
XLogP-0.01
TPSA139.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-methyl-2-[4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]pyrazol-1-yl]propanoic acid with MolForge

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Related Compounds

2-methyl-2-[4-(3-propan-2-yloxypropanoylamino)pyrazol-1-yl]propanoic acid
CID 120696798
4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]benzoic acid
CID 119177738
2-methyl-2-[4-[(2-propan-2-ylsulfonylacetyl)amino]pyrazol-1-yl]propanoic acid
CID 120696216
N-(6-amino-3-pyridinyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride
CID 119515101
2-[4-[[2-(2-methoxyethoxy)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696437
2-[3-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid
CID 119352057
2-[4-(2,3-dimethylpentanoylamino)pyrazol-1-yl]-2-methylpropanoic acid
CID 120697322
(2S)-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]propanoic acid
CID 119238322
2-hydroxy-2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)propanoic acid
CID 79594626
2-methyl-2-[4-[[2-(2-methylphenyl)sulfanylacetyl]amino]pyrazol-1-yl]propanoic acid
CID 120696215
2-[4-[3-(4-methoxyphenyl)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696934
2-[4-[[2-(cyclopropylmethoxy)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696993

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]pyrazol-1-yl]propanoic acid (CID 120696279) is 2-methyl-2-[4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]pyrazol-1-yl]propanoic acid is CC(C)OCCS(=O)(=O)NCC(=O)Nc1cnn(C(C)(C)C(=O)O)c1.
What is the InChIKey of 2-methyl-2-[4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]pyrazol-1-yl]propanoic acid?
The InChIKey is KEORZXWHNLFBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O6S/c1-10(2)24-5-6-25(22,23)16-8-12(19)17-11-7-15-18(9-11)14(3,4)13(20)21/h7,9-10,16H,5-6,8H2,1-4H3,(H,17,19)(H,20,21).
What are the key properties of 2-methyl-2-[4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]pyrazol-1-yl]propanoic acid?
2-methyl-2-[4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]pyrazol-1-yl]propanoic acid has a molecular weight of 376.44 g/mol, XLogP of -0.01, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 120696279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).