2-[[2-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]-4-methylpentanoic acid

C23H32N4O4 — CID 23827113

IUPAC2-[[2-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)Cc1ccccc1NC(=O)c1cc(C(C)(C)C)nn1C)C(=O)O
InChIInChI=1S/C23H32N4O4/c1-14(2)11-17(22(30)31)24-20(28)12-15-9-7-8-10-16(15)25-21(29)18-13-19(23(3,4)5)26-27(18)6/h7-10,13-14,17H,11-12H2,1-6H3,(H,24,28)(H,25,29)(H,30,31)
InChIKeyQURTVBWOSKHHDF-UHFFFAOYSA-N
MW428.53 g/mol
LogP3.13
Rot. Bonds8

About 2-[[2-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]-4-methylpentanoic acid

2-[[2-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]-4-methylpentanoic acid (PubChem CID 23827113) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is 2-[[2-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[2-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]-4-methylpentanoic acid
PubChem CID23827113
Molecular FormulaC23H32N4O4
Molecular Weight428.53 g/mol
Exact Mass428.24
IUPAC Name2-[[2-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)Cc1ccccc1NC(=O)c1cc(C(C)(C)C)nn1C)C(=O)O
InChIInChI=1S/C23H32N4O4/c1-14(2)11-17(22(30)31)24-20(28)12-15-9-7-8-10-16(15)25-21(29)18-13-19(23(3,4)5)26-27(18)6/h7-10,13-14,17H,11-12H2,1-6H3,(H,24,28)(H,25,29)(H,30,31)
InChIKeyQURTVBWOSKHHDF-UHFFFAOYSA-N
XLogP3.13
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

4-methyl-2-[[2-[2-(pyridine-3-carbonylamino)phenyl]acetyl]amino]pentanoic acid
CID 23936302
2-[[2-[2-(1,3-benzodioxole-5-carbonylamino)phenyl]acetyl]amino]-4-methylpentanoic acid
CID 23827284
2-[[2-(2-iodophenyl)acetyl]amino]-4-methylpentanoic acid
CID 120516070
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-methylpentanoic acid
CID 30115441
(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-phenylacetyl)amino]pentanoyl]amino]pentanoic acid
CID 40551448
3-tert-butyl-N-(2,4-dimethylpentyl)-1-methylpyrazole-5-carboxamide
CID 166375628
(2S)-2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]hexanoic acid
CID 120614637
3-tert-butyl-1-methyl-N-naphthalen-2-ylpyrazole-5-carboxamide
CID 78893081
3-tert-butyl-1-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pyrazole-5-carboxamide
CID 87024966
(2R)-4-methyl-2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
CID 119364391
(2R)-2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-4-methylpentanoic acid
CID 110836656
1-benzyl-3-tert-butyl-N-(2-chlorophenyl)pyrazole-5-carboxamide
CID 2744531

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]-4-methylpentanoic acid?
The IUPAC name of 2-[[2-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]-4-methylpentanoic acid (CID 23827113) is 2-[[2-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[2-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[[2-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]-4-methylpentanoic acid is CC(C)CC(NC(=O)Cc1ccccc1NC(=O)c1cc(C(C)(C)C)nn1C)C(=O)O.
What is the InChIKey of 2-[[2-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]-4-methylpentanoic acid?
The InChIKey is QURTVBWOSKHHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4/c1-14(2)11-17(22(30)31)24-20(28)12-15-9-7-8-10-16(15)25-21(29)18-13-19(23(3,4)5)26-27(18)6/h7-10,13-14,17H,11-12H2,1-6H3,(H,24,28)(H,25,29)(H,30,31).
What are the key properties of 2-[[2-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]-4-methylpentanoic acid?
2-[[2-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]-4-methylpentanoic acid has a molecular weight of 428.53 g/mol, XLogP of 3.13, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 23827113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).