3-ethoxy-4-[[2-(triazol-1-yl)acetyl]amino]butanoic acid

C10H16N4O4 — CID 114226874

IUPAC3-ethoxy-4-[[2-(triazol-1-yl)acetyl]amino]butanoic acid
SMILESCCOC(CNC(=O)Cn1ccnn1)CC(=O)O
InChIInChI=1S/C10H16N4O4/c1-2-18-8(5-10(16)17)6-11-9(15)7-14-4-3-12-13-14/h3-4,8H,2,5-7H2,1H3,(H,11,15)(H,16,17)
InChIKeyFKRHDWDQXJZEIL-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.73
Rot. Bonds8

About 3-ethoxy-4-[[2-(triazol-1-yl)acetyl]amino]butanoic acid

3-ethoxy-4-[[2-(triazol-1-yl)acetyl]amino]butanoic acid (PubChem CID 114226874) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-ethoxy-4-[[2-(triazol-1-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name3-ethoxy-4-[[2-(triazol-1-yl)acetyl]amino]butanoic acid
PubChem CID114226874
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name3-ethoxy-4-[[2-(triazol-1-yl)acetyl]amino]butanoic acid
SMILESCCOC(CNC(=O)Cn1ccnn1)CC(=O)O
InChIInChI=1S/C10H16N4O4/c1-2-18-8(5-10(16)17)6-11-9(15)7-14-4-3-12-13-14/h3-4,8H,2,5-7H2,1H3,(H,11,15)(H,16,17)
InChIKeyFKRHDWDQXJZEIL-UHFFFAOYSA-N
XLogP-0.73
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-3-[[2-(triazol-1-yl)acetyl]amino]propanoic acid
CID 106107864
N-(2-hydroxy-3-methoxypropyl)-2-(triazol-1-yl)acetamide
CID 115283363
5-[[2-(triazol-1-yl)acetyl]amino]pentanoic acid
CID 115348185
N-propan-2-yl-2-(triazol-1-yl)acetamide
CID 79807214
4-[(2-tert-butylsulfanylacetyl)amino]-3-ethoxybutanoic acid
CID 114226857
3-ethoxy-4-[4-(methylamino)butanoylamino]butanoic acid
CID 114227057
N-[(2S)-1-hydroxybutan-2-yl]-2-(triazol-1-yl)acetamide
CID 104981673
N-[(2R)-1-hydroxybutan-2-yl]-2-(triazol-1-yl)acetamide
CID 103920026
(2R)-3-methyl-2-[[2-(triazol-1-yl)acetyl]amino]butanoic acid
CID 81453562
5-[[2-(triazol-1-yl)acetyl]amino]hexanoic acid
CID 82855163
N-[2-(2-hydroxypropylamino)ethyl]-2-(triazol-1-yl)acetamide
CID 104593436
N-(2-methylprop-2-enyl)-2-(triazol-1-yl)acetamide
CID 114618475

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-[[2-(triazol-1-yl)acetyl]amino]butanoic acid?
The IUPAC name of 3-ethoxy-4-[[2-(triazol-1-yl)acetyl]amino]butanoic acid (CID 114226874) is 3-ethoxy-4-[[2-(triazol-1-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 3-ethoxy-4-[[2-(triazol-1-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 3-ethoxy-4-[[2-(triazol-1-yl)acetyl]amino]butanoic acid is CCOC(CNC(=O)Cn1ccnn1)CC(=O)O.
What is the InChIKey of 3-ethoxy-4-[[2-(triazol-1-yl)acetyl]amino]butanoic acid?
The InChIKey is FKRHDWDQXJZEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-2-18-8(5-10(16)17)6-11-9(15)7-14-4-3-12-13-14/h3-4,8H,2,5-7H2,1H3,(H,11,15)(H,16,17).
What are the key properties of 3-ethoxy-4-[[2-(triazol-1-yl)acetyl]amino]butanoic acid?
3-ethoxy-4-[[2-(triazol-1-yl)acetyl]amino]butanoic acid has a molecular weight of 256.26 g/mol, XLogP of -0.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-[[2-(triazol-1-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 114226874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).