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

C14H23N3O3 — CID 119209411

IUPAC2-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]propanoic acid
SMILESCc1nn(C)c(C)c1CC(C)C(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C14H23N3O3/c1-8(13(18)16(5)11(4)14(19)20)7-12-9(2)15-17(6)10(12)3/h8,11H,7H2,1-6H3,(H,19,20)
InChIKeyMUKDZGVYJHQMLS-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.15
Rot. Bonds5

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

2-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]propanoic acid (PubChem CID 119209411) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]propanoic acid
PubChem CID119209411
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]propanoic acid
SMILESCc1nn(C)c(C)c1CC(C)C(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C14H23N3O3/c1-8(13(18)16(5)11(4)14(19)20)7-12-9(2)15-17(6)10(12)3/h8,11H,7H2,1-6H3,(H,19,20)
InChIKeyMUKDZGVYJHQMLS-UHFFFAOYSA-N
XLogP1.15
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propanoic acid
CID 64686967
4-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
CID 119173238
3-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
CID 119170294
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
N-butan-2-yl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 134006182
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-methylpropanoic acid
CID 65296103
2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 112718318
(2R)-2-methyl-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 96528895
2-methyl-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 71862164
4-methyl-4-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pentanoic acid
CID 119204397
1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 23005892

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]propanoic acid (CID 119209411) is 2-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]propanoic acid is Cc1nn(C)c(C)c1CC(C)C(=O)N(C)C(C)C(=O)O.
What is the InChIKey of 2-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]propanoic acid?
The InChIKey is MUKDZGVYJHQMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-8(13(18)16(5)11(4)14(19)20)7-12-9(2)15-17(6)10(12)3/h8,11H,7H2,1-6H3,(H,19,20).
What are the key properties of 2-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]propanoic acid?
2-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]propanoic acid has a molecular weight of 281.36 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]propanoic acid is sourced from PubChem (CID 119209411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).