4-hydroxy-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]butanoic acid

C10H17N5O4 — CID 55038250

IUPAC4-hydroxy-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]butanoic acid
SMILESCC(NC(=O)NC(CCO)C(=O)O)c1nncn1C
InChIInChI=1S/C10H17N5O4/c1-6(8-14-11-5-15(8)2)12-10(19)13-7(3-4-16)9(17)18/h5-7,16H,3-4H2,1-2H3,(H,17,18)(H2,12,13,19)
InChIKeyZLCCNNHDZRGGCI-UHFFFAOYSA-N
MW271.28 g/mol
LogP-0.99
Rot. Bonds6

About 4-hydroxy-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]butanoic acid

4-hydroxy-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]butanoic acid (PubChem CID 55038250) has the molecular formula C10H17N5O4 and a molecular weight of 271.28 g/mol. Its IUPAC name is 4-hydroxy-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]butanoic acid
PubChem CID55038250
Molecular FormulaC10H17N5O4
Molecular Weight271.28 g/mol
Exact Mass271.13
IUPAC Name4-hydroxy-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]butanoic acid
SMILESCC(NC(=O)NC(CCO)C(=O)O)c1nncn1C
InChIInChI=1S/C10H17N5O4/c1-6(8-14-11-5-15(8)2)12-10(19)13-7(3-4-16)9(17)18/h5-7,16H,3-4H2,1-2H3,(H,17,18)(H2,12,13,19)
InChIKeyZLCCNNHDZRGGCI-UHFFFAOYSA-N
XLogP-0.99
TPSA129.37 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 5-0.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]butanoic acid (CID 55038250) is 4-hydroxy-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]butanoic acid is CC(NC(=O)NC(CCO)C(=O)O)c1nncn1C.
What is the InChIKey of 4-hydroxy-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]butanoic acid?
The InChIKey is ZLCCNNHDZRGGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O4/c1-6(8-14-11-5-15(8)2)12-10(19)13-7(3-4-16)9(17)18/h5-7,16H,3-4H2,1-2H3,(H,17,18)(H2,12,13,19).
What are the key properties of 4-hydroxy-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]butanoic acid?
4-hydroxy-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]butanoic acid has a molecular weight of 271.28 g/mol, XLogP of -0.99, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]butanoic acid is sourced from PubChem (CID 55038250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).