2-[4-[[(4-methoxy-3-methylbutanoyl)amino]methyl]triazol-1-yl]acetic acid

C11H18N4O4 — CID 113313833

IUPAC2-[4-[[(4-methoxy-3-methylbutanoyl)amino]methyl]triazol-1-yl]acetic acid
SMILESCOCC(C)CC(=O)NCc1cn(CC(=O)O)nn1
InChIInChI=1S/C11H18N4O4/c1-8(7-19-2)3-10(16)12-4-9-5-15(14-13-9)6-11(17)18/h5,8H,3-4,6-7H2,1-2H3,(H,12,16)(H,17,18)
InChIKeyFBAMQGFGOHGUIC-UHFFFAOYSA-N
MW270.29 g/mol
LogP-0.35
Rot. Bonds8

About 2-[4-[[(4-methoxy-3-methylbutanoyl)amino]methyl]triazol-1-yl]acetic acid

2-[4-[[(4-methoxy-3-methylbutanoyl)amino]methyl]triazol-1-yl]acetic acid (PubChem CID 113313833) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[4-[[(4-methoxy-3-methylbutanoyl)amino]methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(4-methoxy-3-methylbutanoyl)amino]methyl]triazol-1-yl]acetic acid
PubChem CID113313833
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name2-[4-[[(4-methoxy-3-methylbutanoyl)amino]methyl]triazol-1-yl]acetic acid
SMILESCOCC(C)CC(=O)NCc1cn(CC(=O)O)nn1
InChIInChI=1S/C11H18N4O4/c1-8(7-19-2)3-10(16)12-4-9-5-15(14-13-9)6-11(17)18/h5,8H,3-4,6-7H2,1-2H3,(H,12,16)(H,17,18)
InChIKeyFBAMQGFGOHGUIC-UHFFFAOYSA-N
XLogP-0.35
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(3-propan-2-yloxypropanoylamino)methyl]triazol-1-yl]acetic acid
CID 120698322
2-[4-[(3-cyclohexylbutanoylamino)methyl]triazol-1-yl]acetic acid
CID 120698743
2-[4-[[(3-methoxy-3-methylbutanoyl)amino]methyl]triazol-1-yl]acetic acid
CID 103019161
2-[4-[[[2-(4-propan-2-ylphenoxy)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120697874
2-[4-[[3-(3,5-dimethoxyphenyl)propanoylamino]methyl]triazol-1-yl]acetic acid
CID 120698949
2-[4-[[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698966
2-[4-[[[methyl(2-methylpropyl)carbamoyl]amino]methyl]triazol-1-yl]acetic acid
CID 113314010
2-[4-[[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 115457511
2-[4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698658
2-[4-[[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698475
2-[4-[[[2-(3,3-dimethylbutanoylamino)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698047
2-[4-[[[2-(2-bromo-5-methoxyphenyl)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698386

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(4-methoxy-3-methylbutanoyl)amino]methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[(4-methoxy-3-methylbutanoyl)amino]methyl]triazol-1-yl]acetic acid (CID 113313833) is 2-[4-[[(4-methoxy-3-methylbutanoyl)amino]methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[(4-methoxy-3-methylbutanoyl)amino]methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[(4-methoxy-3-methylbutanoyl)amino]methyl]triazol-1-yl]acetic acid is COCC(C)CC(=O)NCc1cn(CC(=O)O)nn1.
What is the InChIKey of 2-[4-[[(4-methoxy-3-methylbutanoyl)amino]methyl]triazol-1-yl]acetic acid?
The InChIKey is FBAMQGFGOHGUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-8(7-19-2)3-10(16)12-4-9-5-15(14-13-9)6-11(17)18/h5,8H,3-4,6-7H2,1-2H3,(H,12,16)(H,17,18).
What are the key properties of 2-[4-[[(4-methoxy-3-methylbutanoyl)amino]methyl]triazol-1-yl]acetic acid?
2-[4-[[(4-methoxy-3-methylbutanoyl)amino]methyl]triazol-1-yl]acetic acid has a molecular weight of 270.29 g/mol, XLogP of -0.35, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(4-methoxy-3-methylbutanoyl)amino]methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 113313833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).