2,2-dimethyl-3-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid

C13H16N4O3 — CID 119249566

IUPAC2,2-dimethyl-3-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
SMILESCc1ccn2ncc(C(=O)NCC(C)(C)C(=O)O)c2n1
InChIInChI=1S/C13H16N4O3/c1-8-4-5-17-10(16-8)9(6-15-17)11(18)14-7-13(2,3)12(19)20/h4-6H,7H2,1-3H3,(H,14,18)(H,19,20)
InChIKeyNZWIHGMOFLXXQV-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.88
Rot. Bonds4

About 2,2-dimethyl-3-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid

2,2-dimethyl-3-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid (PubChem CID 119249566) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
PubChem CID119249566
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name2,2-dimethyl-3-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
SMILESCc1ccn2ncc(C(=O)NCC(C)(C)C(=O)O)c2n1
InChIInChI=1S/C13H16N4O3/c1-8-4-5-17-10(16-8)9(6-15-17)11(18)14-7-13(2,3)12(19)20/h4-6H,7H2,1-3H3,(H,14,18)(H,19,20)
InChIKeyNZWIHGMOFLXXQV-UHFFFAOYSA-N
XLogP0.88
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136512225
1-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119132499
4-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid
CID 119188230
5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 119512184
3-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid
CID 119211732
5-methyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124873073
2,2-dimethyl-3-[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 120528001
5-methyl-N-[(1R,2R)-2-phenylcyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 97073098
3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66171584
5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 75463886
N-[3-chloro-4-(hydroxymethyl)phenyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154800069
2,2-dimethyl-3-[(6-methylpyridine-3-carbonyl)amino]propanoic acid
CID 81367392

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid (CID 119249566) is 2,2-dimethyl-3-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid is Cc1ccn2ncc(C(=O)NCC(C)(C)C(=O)O)c2n1.
What is the InChIKey of 2,2-dimethyl-3-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid?
The InChIKey is NZWIHGMOFLXXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-8-4-5-17-10(16-8)9(6-15-17)11(18)14-7-13(2,3)12(19)20/h4-6H,7H2,1-3H3,(H,14,18)(H,19,20).
What are the key properties of 2,2-dimethyl-3-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid?
2,2-dimethyl-3-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid has a molecular weight of 276.30 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119249566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).