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

C11H16N4O3 — CID 43162980

IUPAC2-cyclopropyl-2-[3-(triazol-1-yl)propanoylamino]propanoic acid
SMILESCC(NC(=O)CCn1ccnn1)(C(=O)O)C1CC1
InChIInChI=1S/C11H16N4O3/c1-11(10(17)18,8-2-3-8)13-9(16)4-6-15-7-5-12-14-15/h5,7-8H,2-4,6H2,1H3,(H,13,16)(H,17,18)
InChIKeyQUCNTPVRAKLOFU-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.04
Rot. Bonds6

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

2-cyclopropyl-2-[3-(triazol-1-yl)propanoylamino]propanoic acid (PubChem CID 43162980) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-cyclopropyl-2-[3-(triazol-1-yl)propanoylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[3-(triazol-1-yl)propanoylamino]propanoic acid
PubChem CID43162980
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-cyclopropyl-2-[3-(triazol-1-yl)propanoylamino]propanoic acid
SMILESCC(NC(=O)CCn1ccnn1)(C(=O)O)C1CC1
InChIInChI=1S/C11H16N4O3/c1-11(10(17)18,8-2-3-8)13-9(16)4-6-15-7-5-12-14-15/h5,7-8H,2-4,6H2,1H3,(H,13,16)(H,17,18)
InChIKeyQUCNTPVRAKLOFU-UHFFFAOYSA-N
XLogP0.04
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[3-(triazol-1-yl)propanoylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[3-(triazol-1-yl)propanoylamino]propanoic acid (CID 43162980) is 2-cyclopropyl-2-[3-(triazol-1-yl)propanoylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[3-(triazol-1-yl)propanoylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[3-(triazol-1-yl)propanoylamino]propanoic acid is CC(NC(=O)CCn1ccnn1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[3-(triazol-1-yl)propanoylamino]propanoic acid?
The InChIKey is QUCNTPVRAKLOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-11(10(17)18,8-2-3-8)13-9(16)4-6-15-7-5-12-14-15/h5,7-8H,2-4,6H2,1H3,(H,13,16)(H,17,18).
What are the key properties of 2-cyclopropyl-2-[3-(triazol-1-yl)propanoylamino]propanoic acid?
2-cyclopropyl-2-[3-(triazol-1-yl)propanoylamino]propanoic acid has a molecular weight of 252.27 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[3-(triazol-1-yl)propanoylamino]propanoic acid is sourced from PubChem (CID 43162980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).