2-methyl-2-[methyl-[3-(2-methylpyrazol-3-yl)propanoyl]amino]propanoic acid

C12H19N3O3 — CID 120518879

IUPAC2-methyl-2-[methyl-[3-(2-methylpyrazol-3-yl)propanoyl]amino]propanoic acid
SMILESCN(C(=O)CCc1ccnn1C)C(C)(C)C(=O)O
InChIInChI=1S/C12H19N3O3/c1-12(2,11(17)18)14(3)10(16)6-5-9-7-8-13-15(9)4/h7-8H,5-6H2,1-4H3,(H,17,18)
InChIKeyUAQXDZJCBKGRIO-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.67
Rot. Bonds5

About 2-methyl-2-[methyl-[3-(2-methylpyrazol-3-yl)propanoyl]amino]propanoic acid

2-methyl-2-[methyl-[3-(2-methylpyrazol-3-yl)propanoyl]amino]propanoic acid (PubChem CID 120518879) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[3-(2-methylpyrazol-3-yl)propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[3-(2-methylpyrazol-3-yl)propanoyl]amino]propanoic acid
PubChem CID120518879
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-methyl-2-[methyl-[3-(2-methylpyrazol-3-yl)propanoyl]amino]propanoic acid
SMILESCN(C(=O)CCc1ccnn1C)C(C)(C)C(=O)O
InChIInChI=1S/C12H19N3O3/c1-12(2,11(17)18)14(3)10(16)6-5-9-7-8-13-15(9)4/h7-8H,5-6H2,1-4H3,(H,17,18)
InChIKeyUAQXDZJCBKGRIO-UHFFFAOYSA-N
XLogP0.67
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4,4,5-trimethyl-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103023752
3-[3-(2-methylpyrazol-3-yl)propanoyl-propan-2-ylamino]propanoic acid
CID 120520177
2-methyl-2-[methyl(3-pyrazol-1-ylpropanoyl)amino]propanoic acid
CID 62817737
2-[3-(furan-2-yl)propanoyl-methylamino]-2-methylpropanoic acid
CID 55123873
4-methyl-1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-one
CID 103024248
2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]pentanoic acid
CID 120517076
2,2-diethyl-4-(2-methylpyrazol-3-yl)butanoic acid
CID 103005061
2,2,3-trimethyl-3-[2-(2-methylpyrazol-3-yl)ethylamino]butanoic acid
CID 103004839
11-(2-methylpyrazol-3-yl)undecanoic acid
CID 10778184
2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid
CID 103005024
N-methyl-3-(2-methylpyrazol-3-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide
CID 138036982
N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-N-methyl-3-(2-methylpyrazol-3-yl)propanamide
CID 110128017

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[3-(2-methylpyrazol-3-yl)propanoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[3-(2-methylpyrazol-3-yl)propanoyl]amino]propanoic acid (CID 120518879) is 2-methyl-2-[methyl-[3-(2-methylpyrazol-3-yl)propanoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[3-(2-methylpyrazol-3-yl)propanoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[3-(2-methylpyrazol-3-yl)propanoyl]amino]propanoic acid is CN(C(=O)CCc1ccnn1C)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl-[3-(2-methylpyrazol-3-yl)propanoyl]amino]propanoic acid?
The InChIKey is UAQXDZJCBKGRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-12(2,11(17)18)14(3)10(16)6-5-9-7-8-13-15(9)4/h7-8H,5-6H2,1-4H3,(H,17,18).
What are the key properties of 2-methyl-2-[methyl-[3-(2-methylpyrazol-3-yl)propanoyl]amino]propanoic acid?
2-methyl-2-[methyl-[3-(2-methylpyrazol-3-yl)propanoyl]amino]propanoic acid has a molecular weight of 253.30 g/mol, XLogP of 0.67, 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-(2-methylpyrazol-3-yl)propanoyl]amino]propanoic acid is sourced from PubChem (CID 120518879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).