2-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid

C10H16N4O3 — CID 79801340

IUPAC2-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid
SMILESCCC(C)(NC(=O)Nc1ccn(C)n1)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-4-10(2,8(15)16)12-9(17)11-7-5-6-14(3)13-7/h5-6H,4H2,1-3H3,(H,15,16)(H2,11,12,13,17)
InChIKeyGSKQONJHUGFVMX-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.79
Rot. Bonds4

About 2-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid

2-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid (PubChem CID 79801340) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid
PubChem CID79801340
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid
SMILESCCC(C)(NC(=O)Nc1ccn(C)n1)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-4-10(2,8(15)16)12-9(17)11-7-5-6-14(3)13-7/h5-6H,4H2,1-3H3,(H,15,16)(H2,11,12,13,17)
InChIKeyGSKQONJHUGFVMX-UHFFFAOYSA-N
XLogP0.79
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid?
The IUPAC name of 2-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid (CID 79801340) is 2-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid?
The canonical SMILES for 2-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid is CCC(C)(NC(=O)Nc1ccn(C)n1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid?
The InChIKey is GSKQONJHUGFVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-4-10(2,8(15)16)12-9(17)11-7-5-6-14(3)13-7/h5-6H,4H2,1-3H3,(H,15,16)(H2,11,12,13,17).
What are the key properties of 2-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid?
2-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid is sourced from PubChem (CID 79801340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).