2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid

C10H16N4O3 — CID 54982042

IUPAC2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid
SMILESCc1[nH]ncc1CNC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-6-7(5-12-14-6)4-11-9(17)13-10(2,3)8(15)16/h5H,4H2,1-3H3,(H,12,14)(H,15,16)(H2,11,13,17)
InChIKeyKTMWRTJNYHVJQR-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.38
Rot. Bonds4

About 2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid

2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid (PubChem CID 54982042) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid
PubChem CID54982042
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid
SMILESCc1[nH]ncc1CNC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-6-7(5-12-14-6)4-11-9(17)13-10(2,3)8(15)16/h5H,4H2,1-3H3,(H,12,14)(H,15,16)(H2,11,13,17)
InChIKeyKTMWRTJNYHVJQR-UHFFFAOYSA-N
XLogP0.38
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266735
3,3,3-trifluoro-2-methyl-2-(1H-pyrazol-4-ylmethylcarbamoylamino)propanoic acid
CID 79801050
3,3,3-trifluoro-2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid
CID 79801201
2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 104004534
2-[(1,5-Dimethylpyrazol-4-yl)methylcarbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 106037994
3,3,3-trifluoro-2-methyl-2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]propanoic acid
CID 106215476
2-[(1,3-Dimethylpyrazol-4-yl)methylcarbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 115991255
methyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetate
CID 43663439
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid
CID 43663721
3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoic acid
CID 43663733
methyl (2S)-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate
CID 43723769
methyl 2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate
CID 43726146

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid?
The IUPAC name of 2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid (CID 54982042) is 2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid is Cc1[nH]ncc1CNC(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid?
The InChIKey is KTMWRTJNYHVJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-6-7(5-12-14-6)4-11-9(17)13-10(2,3)8(15)16/h5H,4H2,1-3H3,(H,12,14)(H,15,16)(H2,11,13,17).
What are the key properties of 2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid?
2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.38, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid is sourced from PubChem (CID 54982042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).