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

C14H23N3O3 — CID 62819020

IUPAC2-methyl-2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]propanoic acid
SMILESCc1nn(C)c(C)c1CCC(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H23N3O3/c1-9-11(10(2)17(6)15-9)7-8-12(18)16(5)14(3,4)13(19)20/h7-8H2,1-6H3,(H,19,20)
InChIKeyVFPXOHKVWIQIRT-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.29
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 62819020) 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 CID62819020
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)c1CCC(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H23N3O3/c1-9-11(10(2)17(6)15-9)7-8-12(18)16(5)14(3,4)13(19)20/h7-8H2,1-6H3,(H,19,20)
InChIKeyVFPXOHKVWIQIRT-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 119583409
4-methyl-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]pentanoic acid
CID 62043286
2-methyl-2-[methyl-[3-(2-methylpyrazol-3-yl)propanoyl]amino]propanoic acid
CID 120518879
2-[2-methylpropyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid
CID 62032074
2-[prop-2-enyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid
CID 79256977
2-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]pentanoic acid
CID 43619012
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 103895626
N-(2-hydroxycyclohexyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 102634893
N-[2-(dimethylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110685688
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 134009796
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95157289
N-(2-hydroxy-2-methylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 65114850

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 62819020) 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)c1CCC(=O)N(C)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 VFPXOHKVWIQIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-9-11(10(2)17(6)15-9)7-8-12(18)16(5)14(3,4)13(19)20/h7-8H2,1-6H3,(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 1.29, 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 62819020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).