2-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid

C16H27N3O3 — CID 119192281

IUPAC2-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid
SMILESCCCC(C)(NC(=O)C(C)Cc1c(C)nn(C)c1C)C(=O)O
InChIInChI=1S/C16H27N3O3/c1-7-8-16(5,15(21)22)17-14(20)10(2)9-13-11(3)18-19(6)12(13)4/h10H,7-9H2,1-6H3,(H,17,20)(H,21,22)
InChIKeyBOGQVUYPYGRDSZ-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.98
Rot. Bonds7

About 2-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid

2-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid (PubChem CID 119192281) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid
PubChem CID119192281
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name2-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid
SMILESCCCC(C)(NC(=O)C(C)Cc1c(C)nn(C)c1C)C(=O)O
InChIInChI=1S/C16H27N3O3/c1-7-8-16(5,15(21)22)17-14(20)10(2)9-13-11(3)18-19(6)12(13)4/h10H,7-9H2,1-6H3,(H,17,20)(H,21,22)
InChIKeyBOGQVUYPYGRDSZ-UHFFFAOYSA-N
XLogP1.98
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid with MolForge

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Related Compounds

4-methyl-4-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid
CID 119204397
3-methyl-3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid
CID 75429225
2-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]pentanoic acid
CID 43619012
2-methyl-2-(2-methylbutanoylamino)pentanoic acid
CID 43618557
methyl 2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoate
CID 43431496
3-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
CID 119170294
4-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
CID 119170957
2-methyl-2-(2-methylpentanoylamino)pentanoic acid
CID 43619107
(2S)-2-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-methylpentanoic acid
CID 97324057
4-[[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]methyl]benzoic acid
CID 119165575
2-cyclopropyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid
CID 119213844
2-methyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119192382

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid (CID 119192281) is 2-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid is CCCC(C)(NC(=O)C(C)Cc1c(C)nn(C)c1C)C(=O)O.
What is the InChIKey of 2-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid?
The InChIKey is BOGQVUYPYGRDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-7-8-16(5,15(21)22)17-14(20)10(2)9-13-11(3)18-19(6)12(13)4/h10H,7-9H2,1-6H3,(H,17,20)(H,21,22).
What are the key properties of 2-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid?
2-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid has a molecular weight of 309.41 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid is sourced from PubChem (CID 119192281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).