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

C16H27N3O3 — CID 119204397

IUPAC4-methyl-4-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid
SMILESCc1nn(C)c(C)c1CC(C)C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C16H27N3O3/c1-10(9-13-11(2)18-19(6)12(13)3)15(22)17-16(4,5)8-7-14(20)21/h10H,7-9H2,1-6H3,(H,17,22)(H,20,21)
InChIKeyMUGUXFWPZIJPBY-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.98
Rot. Bonds7

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

4-methyl-4-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid (PubChem CID 119204397) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-methyl-4-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid
PubChem CID119204397
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name4-methyl-4-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid
SMILESCc1nn(C)c(C)c1CC(C)C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C16H27N3O3/c1-10(9-13-11(2)18-19(6)12(13)3)15(22)17-16(4,5)8-7-14(20)21/h10H,7-9H2,1-6H3,(H,17,22)(H,20,21)
InChIKeyMUGUXFWPZIJPBY-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 4-methyl-4-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid with MolForge

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Related Compounds

3-methyl-3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid
CID 75429225
2-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid
CID 119192281
4-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
CID 119170957
4-methyl-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]pentanoic acid
CID 62043286
3-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
CID 119170294
(2S)-2-methyl-N-(1-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95778785
4-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
CID 119173238
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-[3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pyrazol-1-yl]acetic acid
CID 119231075
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanoic acid
CID 79236312
4-methyl-4-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]pentanoic acid
CID 62044160

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid (CID 119204397) is 4-methyl-4-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid is Cc1nn(C)c(C)c1CC(C)C(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-methyl-4-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid?
The InChIKey is MUGUXFWPZIJPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-10(9-13-11(2)18-19(6)12(13)3)15(22)17-16(4,5)8-7-14(20)21/h10H,7-9H2,1-6H3,(H,17,22)(H,20,21).
What are the key properties of 4-methyl-4-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid?
4-methyl-4-[[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 4-methyl-4-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid is sourced from PubChem (CID 119204397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).