3-(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)propanoic acid

C10H16N4O3 — CID 83898838

IUPAC3-(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)propanoic acid
SMILESCn1c(CCC(=O)O)nnc1N1CCOCC1
InChIInChI=1S/C10H16N4O3/c1-13-8(2-3-9(15)16)11-12-10(13)14-4-6-17-7-5-14/h2-7H2,1H3,(H,15,16)
InChIKeyOXGPTVMPKJLXTP-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.33
Rot. Bonds4

About 3-(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)propanoic acid

3-(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)propanoic acid (PubChem CID 83898838) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)propanoic acid
PubChem CID83898838
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name3-(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)propanoic acid
SMILESCn1c(CCC(=O)O)nnc1N1CCOCC1
InChIInChI=1S/C10H16N4O3/c1-13-8(2-3-9(15)16)11-12-10(13)14-4-6-17-7-5-14/h2-7H2,1H3,(H,15,16)
InChIKeyOXGPTVMPKJLXTP-UHFFFAOYSA-N
XLogP-0.33
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)propanoic acid?
The IUPAC name of 3-(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)propanoic acid (CID 83898838) is 3-(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)propanoic acid.
What is the SMILES notation for 3-(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)propanoic acid?
The canonical SMILES for 3-(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)propanoic acid is Cn1c(CCC(=O)O)nnc1N1CCOCC1.
What is the InChIKey of 3-(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)propanoic acid?
The InChIKey is OXGPTVMPKJLXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-13-8(2-3-9(15)16)11-12-10(13)14-4-6-17-7-5-14/h2-7H2,1H3,(H,15,16).
What are the key properties of 3-(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)propanoic acid?
3-(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)propanoic acid has a molecular weight of 240.26 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)propanoic acid is sourced from PubChem (CID 83898838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).