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

C15H25N3O3 — CID 119170294

IUPAC3-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
SMILESCc1nn(C)c(C)c1CC(C)C(=O)NC(C(=O)O)C(C)C
InChIInChI=1S/C15H25N3O3/c1-8(2)13(15(20)21)16-14(19)9(3)7-12-10(4)17-18(6)11(12)5/h8-9,13H,7H2,1-6H3,(H,16,19)(H,20,21)
InChIKeySISVXJWYWCOSQH-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.44
Rot. Bonds6

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

3-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid (PubChem CID 119170294) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
PubChem CID119170294
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name3-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
SMILESCc1nn(C)c(C)c1CC(C)C(=O)NC(C(=O)O)C(C)C
InChIInChI=1S/C15H25N3O3/c1-8(2)13(15(20)21)16-14(19)9(3)7-12-10(4)17-18(6)11(12)5/h8-9,13H,7H2,1-6H3,(H,16,19)(H,20,21)
InChIKeySISVXJWYWCOSQH-UHFFFAOYSA-N
XLogP1.44
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-cyclopropyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid
CID 119213844
4-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
CID 119170957
4-methyl-4-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid
CID 119204397
2-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]propanoic acid
CID 119209411
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110004546
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
3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]butanoic acid
CID 82539337
3-amino-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide;hydrochloride
CID 120501674
4-[[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]methyl]benzoic acid
CID 119165575
2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propanoic acid
CID 64686967
3-hydroxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]butanoic acid
CID 43353725

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid?
The IUPAC name of 3-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid (CID 119170294) is 3-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid is Cc1nn(C)c(C)c1CC(C)C(=O)NC(C(=O)O)C(C)C.
What is the InChIKey of 3-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid?
The InChIKey is SISVXJWYWCOSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-8(2)13(15(20)21)16-14(19)9(3)7-12-10(4)17-18(6)11(12)5/h8-9,13H,7H2,1-6H3,(H,16,19)(H,20,21).
What are the key properties of 3-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid?
3-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid has a molecular weight of 295.38 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid is sourced from PubChem (CID 119170294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).