2-[3-(triazol-1-yl)propanoylamino]acetic acid

C7H10N4O3 — CID 28789423

IUPAC2-[3-(triazol-1-yl)propanoylamino]acetic acid
SMILESO=C(O)CNC(=O)CCn1ccnn1
InChIInChI=1S/C7H10N4O3/c12-6(8-5-7(13)14)1-3-11-4-2-9-10-11/h2,4H,1,3,5H2,(H,8,12)(H,13,14)
InChIKeyLQVVEZFCVUNWMX-UHFFFAOYSA-N
MW198.18 g/mol
LogP-1.13
Rot. Bonds5

About 2-[3-(triazol-1-yl)propanoylamino]acetic acid

2-[3-(triazol-1-yl)propanoylamino]acetic acid (PubChem CID 28789423) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-[3-(triazol-1-yl)propanoylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(triazol-1-yl)propanoylamino]acetic acid
PubChem CID28789423
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name2-[3-(triazol-1-yl)propanoylamino]acetic acid
SMILESO=C(O)CNC(=O)CCn1ccnn1
InChIInChI=1S/C7H10N4O3/c12-6(8-5-7(13)14)1-3-11-4-2-9-10-11/h2,4H,1,3,5H2,(H,8,12)(H,13,14)
InChIKeyLQVVEZFCVUNWMX-UHFFFAOYSA-N
XLogP-1.13
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(triazol-1-yl)propanoylamino]acetic acid?
The IUPAC name of 2-[3-(triazol-1-yl)propanoylamino]acetic acid (CID 28789423) is 2-[3-(triazol-1-yl)propanoylamino]acetic acid.
What is the SMILES notation for 2-[3-(triazol-1-yl)propanoylamino]acetic acid?
The canonical SMILES for 2-[3-(triazol-1-yl)propanoylamino]acetic acid is O=C(O)CNC(=O)CCn1ccnn1.
What is the InChIKey of 2-[3-(triazol-1-yl)propanoylamino]acetic acid?
The InChIKey is LQVVEZFCVUNWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c12-6(8-5-7(13)14)1-3-11-4-2-9-10-11/h2,4H,1,3,5H2,(H,8,12)(H,13,14).
What are the key properties of 2-[3-(triazol-1-yl)propanoylamino]acetic acid?
2-[3-(triazol-1-yl)propanoylamino]acetic acid has a molecular weight of 198.18 g/mol, XLogP of -1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(triazol-1-yl)propanoylamino]acetic acid is sourced from PubChem (CID 28789423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).