2-methyl-2-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]propanoic acid

C11H18N4O3 — CID 62821667

IUPAC2-methyl-2-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]propanoic acid
SMILESCN(C(=O)NCCn1cccn1)C(C)(C)C(=O)O
InChIInChI=1S/C11H18N4O3/c1-11(2,9(16)17)14(3)10(18)12-6-8-15-7-4-5-13-15/h4-5,7H,6,8H2,1-3H3,(H,12,18)(H,16,17)
InChIKeyMQLAANZAYPQKSC-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.39
Rot. Bonds5

About 2-methyl-2-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]propanoic acid

2-methyl-2-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]propanoic acid (PubChem CID 62821667) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-methyl-2-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]propanoic acid
PubChem CID62821667
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-methyl-2-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]propanoic acid
SMILESCN(C(=O)NCCn1cccn1)C(C)(C)C(=O)O
InChIInChI=1S/C11H18N4O3/c1-11(2,9(16)17)14(3)10(18)12-6-8-15-7-4-5-13-15/h4-5,7H,6,8H2,1-3H3,(H,12,18)(H,16,17)
InChIKeyMQLAANZAYPQKSC-UHFFFAOYSA-N
XLogP0.39
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[methyl(3-pyrazol-1-ylpropanoyl)amino]propanoic acid
CID 62817737
1,1-diethyl-3-(2-pyrazol-1-ylethyl)urea
CID 115629319
2-hydroxy-2-methyl-3-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid
CID 66176150
2-[4-imidazol-1-ylbutylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 62822054
2-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methylpropanoic acid
CID 62822178
1-methyl-3-(2-pyrazol-1-ylethyl)urea
CID 23548396
3-(tert-butylamino)-N-(2-pyrazol-1-ylethyl)propanamide
CID 54951704
2-[cyclopropylmethyl(2-pyrazol-1-ylethylcarbamoyl)amino]acetic acid
CID 61461201
4-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267502
2-methyl-2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid
CID 62821295
2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid
CID 61461230
4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid
CID 61460027

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]propanoic acid (CID 62821667) is 2-methyl-2-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]propanoic acid is CN(C(=O)NCCn1cccn1)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]propanoic acid?
The InChIKey is MQLAANZAYPQKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-11(2,9(16)17)14(3)10(18)12-6-8-15-7-4-5-13-15/h4-5,7H,6,8H2,1-3H3,(H,12,18)(H,16,17).
What are the key properties of 2-methyl-2-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]propanoic acid?
2-methyl-2-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]propanoic acid has a molecular weight of 254.29 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 62821667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).