2-methyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid

C14H18N4O3 — CID 119236620

IUPAC2-methyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
SMILESCc1cc(C)n2nc(C)c(C(=O)NCC(C)C(=O)O)c2n1
InChIInChI=1S/C14H18N4O3/c1-7(14(20)21)6-15-13(19)11-10(4)17-18-9(3)5-8(2)16-12(11)18/h5,7H,6H2,1-4H3,(H,15,19)(H,20,21)
InChIKeyYXRVWUBESKZKDW-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.11
Rot. Bonds4

About 2-methyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid

2-methyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid (PubChem CID 119236620) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-methyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
PubChem CID119236620
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name2-methyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
SMILESCc1cc(C)n2nc(C)c(C(=O)NCC(C)C(=O)O)c2n1
InChIInChI=1S/C14H18N4O3/c1-7(14(20)21)6-15-13(19)11-10(4)17-18-9(3)5-8(2)16-12(11)18/h5,7H,6H2,1-4H3,(H,15,19)(H,20,21)
InChIKeyYXRVWUBESKZKDW-UHFFFAOYSA-N
XLogP1.11
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid (CID 119236620) is 2-methyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid is Cc1cc(C)n2nc(C)c(C(=O)NCC(C)C(=O)O)c2n1.
What is the InChIKey of 2-methyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid?
The InChIKey is YXRVWUBESKZKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-7(14(20)21)6-15-13(19)11-10(4)17-18-9(3)5-8(2)16-12(11)18/h5,7H,6H2,1-4H3,(H,15,19)(H,20,21).
What are the key properties of 2-methyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid?
2-methyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119236620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).