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

C11H19N3O3 — CID 113436555

IUPAC2-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanoic acid
SMILESCc1nn(C)c(C)c1CNCC(C)(O)C(=O)O
InChIInChI=1S/C11H19N3O3/c1-7-9(8(2)14(4)13-7)5-12-6-11(3,17)10(15)16/h12,17H,5-6H2,1-4H3,(H,15,16)
InChIKeyGMICCFODOOOTPO-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.04
Rot. Bonds5

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

2-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanoic acid (PubChem CID 113436555) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanoic acid
PubChem CID113436555
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanoic acid
SMILESCc1nn(C)c(C)c1CNCC(C)(O)C(=O)O
InChIInChI=1S/C11H19N3O3/c1-7-9(8(2)14(4)13-7)5-12-6-11(3,17)10(15)16/h12,17H,5-6H2,1-4H3,(H,15,16)
InChIKeyGMICCFODOOOTPO-UHFFFAOYSA-N
XLogP-0.04
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexan-2-ol
CID 111449402
3-hydroxy-3-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 79233236
3,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-1-amine
CID 112727542
2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid
CID 61261702
3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-2-ol
CID 111422037
4,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanenitrile
CID 115653083
2-(2,4-difluorophenyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 111334389
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol
CID 115621471
2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide
CID 79236503
methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
CID 110731133
(E)-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]prop-2-enoic acid
CID 103255400
tert-butyl N-[(1,3,5-trimethylpyrazol-4-yl)methylamino]carbamate
CID 107236747

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanoic acid (CID 113436555) is 2-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanoic acid is Cc1nn(C)c(C)c1CNCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanoic acid?
The InChIKey is GMICCFODOOOTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-7-9(8(2)14(4)13-7)5-12-6-11(3,17)10(15)16/h12,17H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 2-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanoic acid?
2-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanoic acid has a molecular weight of 241.29 g/mol, XLogP of -0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanoic acid is sourced from PubChem (CID 113436555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).