2-[methyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid

C8H12N4O3 — CID 28789980

IUPAC2-[methyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)CCn1ccnn1
InChIInChI=1S/C8H12N4O3/c1-11(6-8(14)15)7(13)2-4-12-5-3-9-10-12/h3,5H,2,4,6H2,1H3,(H,14,15)
InChIKeyOSQWADZWXADJEE-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.79
Rot. Bonds5

About 2-[methyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid

2-[methyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid (PubChem CID 28789980) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-[methyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid
PubChem CID28789980
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name2-[methyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)CCn1ccnn1
InChIInChI=1S/C8H12N4O3/c1-11(6-8(14)15)7(13)2-4-12-5-3-9-10-12/h3,5H,2,4,6H2,1H3,(H,14,15)
InChIKeyOSQWADZWXADJEE-UHFFFAOYSA-N
XLogP-0.79
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid (CID 28789980) is 2-[methyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid is CN(CC(=O)O)C(=O)CCn1ccnn1.
What is the InChIKey of 2-[methyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid?
The InChIKey is OSQWADZWXADJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-11(6-8(14)15)7(13)2-4-12-5-3-9-10-12/h3,5H,2,4,6H2,1H3,(H,14,15).
What are the key properties of 2-[methyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid?
2-[methyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid has a molecular weight of 212.21 g/mol, XLogP of -0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-(triazol-1-yl)propanoyl]amino]acetic acid is sourced from PubChem (CID 28789980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).