2-methoxy-3-[[2-(triazol-1-yl)acetyl]amino]propanoic acid

C8H12N4O4 — CID 106107864

IUPAC2-methoxy-3-[[2-(triazol-1-yl)acetyl]amino]propanoic acid
SMILESCOC(CNC(=O)Cn1ccnn1)C(=O)O
InChIInChI=1S/C8H12N4O4/c1-16-6(8(14)15)4-9-7(13)5-12-3-2-10-11-12/h2-3,6H,4-5H2,1H3,(H,9,13)(H,14,15)
InChIKeyNQZTWJUMRJMYRG-UHFFFAOYSA-N
MW228.21 g/mol
LogP-1.51
Rot. Bonds6

About 2-methoxy-3-[[2-(triazol-1-yl)acetyl]amino]propanoic acid

2-methoxy-3-[[2-(triazol-1-yl)acetyl]amino]propanoic acid (PubChem CID 106107864) has the molecular formula C8H12N4O4 and a molecular weight of 228.21 g/mol. Its IUPAC name is 2-methoxy-3-[[2-(triazol-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[[2-(triazol-1-yl)acetyl]amino]propanoic acid
PubChem CID106107864
Molecular FormulaC8H12N4O4
Molecular Weight228.21 g/mol
Exact Mass228.09
IUPAC Name2-methoxy-3-[[2-(triazol-1-yl)acetyl]amino]propanoic acid
SMILESCOC(CNC(=O)Cn1ccnn1)C(=O)O
InChIInChI=1S/C8H12N4O4/c1-16-6(8(14)15)4-9-7(13)5-12-3-2-10-11-12/h2-3,6H,4-5H2,1H3,(H,9,13)(H,14,15)
InChIKeyNQZTWJUMRJMYRG-UHFFFAOYSA-N
XLogP-1.51
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
CID 106107321
N-(2-hydroxy-3-methoxypropyl)-2-(triazol-1-yl)acetamide
CID 115283363
3-ethoxy-4-[[2-(triazol-1-yl)acetyl]amino]butanoic acid
CID 114226874
3-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-2-methoxypropanoic acid
CID 106109016
(2S)-2-hydroxy-4-[[2-(triazol-1-yl)acetyl]amino]butanoic acid
CID 107834964
2-methoxy-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 106107921
(2R)-3-methyl-2-[[2-(triazol-1-yl)acetyl]amino]butanoic acid
CID 81453562
N-[2-(2-hydroxypropylamino)ethyl]-2-(triazol-1-yl)acetamide
CID 104593436
N-propan-2-yl-2-(triazol-1-yl)acetamide
CID 79807214
N-(2-methylprop-2-enyl)-2-(triazol-1-yl)acetamide
CID 114618475
(2S)-3,3-dimethyl-2-[[2-(triazol-1-yl)acetyl]amino]butanoic acid
CID 115348128
5-[[2-(triazol-1-yl)acetyl]amino]pentanoic acid
CID 115348185

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[[2-(triazol-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-methoxy-3-[[2-(triazol-1-yl)acetyl]amino]propanoic acid (CID 106107864) is 2-methoxy-3-[[2-(triazol-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[[2-(triazol-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-methoxy-3-[[2-(triazol-1-yl)acetyl]amino]propanoic acid is COC(CNC(=O)Cn1ccnn1)C(=O)O.
What is the InChIKey of 2-methoxy-3-[[2-(triazol-1-yl)acetyl]amino]propanoic acid?
The InChIKey is NQZTWJUMRJMYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O4/c1-16-6(8(14)15)4-9-7(13)5-12-3-2-10-11-12/h2-3,6H,4-5H2,1H3,(H,9,13)(H,14,15).
What are the key properties of 2-methoxy-3-[[2-(triazol-1-yl)acetyl]amino]propanoic acid?
2-methoxy-3-[[2-(triazol-1-yl)acetyl]amino]propanoic acid has a molecular weight of 228.21 g/mol, XLogP of -1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[[2-(triazol-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 106107864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).