2-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid

C7H10N4O3 — CID 63652597

IUPAC2-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid
SMILESCC(C)(NC(=O)c1ncn[nH]1)C(=O)O
InChIInChI=1S/C7H10N4O3/c1-7(2,6(13)14)10-5(12)4-8-3-9-11-4/h3H,1-2H3,(H,10,12)(H,13,14)(H,8,9,11)
InChIKeyJHMJKYQVQOTHHJ-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.60
Rot. Bonds3

About 2-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid

2-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid (PubChem CID 63652597) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid
PubChem CID63652597
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name2-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid
SMILESCC(C)(NC(=O)c1ncn[nH]1)C(=O)O
InChIInChI=1S/C7H10N4O3/c1-7(2,6(13)14)10-5(12)4-8-3-9-11-4/h3H,1-2H3,(H,10,12)(H,13,14)(H,8,9,11)
InChIKeyJHMJKYQVQOTHHJ-UHFFFAOYSA-N
XLogP-0.60
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid?
The IUPAC name of 2-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid (CID 63652597) is 2-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid.
What is the SMILES notation for 2-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid?
The canonical SMILES for 2-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid is CC(C)(NC(=O)c1ncn[nH]1)C(=O)O.
What is the InChIKey of 2-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid?
The InChIKey is JHMJKYQVQOTHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-7(2,6(13)14)10-5(12)4-8-3-9-11-4/h3H,1-2H3,(H,10,12)(H,13,14)(H,8,9,11).
What are the key properties of 2-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid?
2-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid has a molecular weight of 198.18 g/mol, XLogP of -0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid is sourced from PubChem (CID 63652597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).