2-[4-[(3-propan-2-yloxypropanoylamino)methyl]triazol-1-yl]acetic acid

C11H18N4O4 — CID 120698322

IUPAC2-[4-[(3-propan-2-yloxypropanoylamino)methyl]triazol-1-yl]acetic acid
SMILESCC(C)OCCC(=O)NCc1cn(CC(=O)O)nn1
InChIInChI=1S/C11H18N4O4/c1-8(2)19-4-3-10(16)12-5-9-6-15(14-13-9)7-11(17)18/h6,8H,3-5,7H2,1-2H3,(H,12,16)(H,17,18)
InChIKeyYPDDGELQPLKNFX-UHFFFAOYSA-N
MW270.29 g/mol
LogP-0.21
Rot. Bonds8

About 2-[4-[(3-propan-2-yloxypropanoylamino)methyl]triazol-1-yl]acetic acid

2-[4-[(3-propan-2-yloxypropanoylamino)methyl]triazol-1-yl]acetic acid (PubChem CID 120698322) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[4-[(3-propan-2-yloxypropanoylamino)methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-propan-2-yloxypropanoylamino)methyl]triazol-1-yl]acetic acid
PubChem CID120698322
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name2-[4-[(3-propan-2-yloxypropanoylamino)methyl]triazol-1-yl]acetic acid
SMILESCC(C)OCCC(=O)NCc1cn(CC(=O)O)nn1
InChIInChI=1S/C11H18N4O4/c1-8(2)19-4-3-10(16)12-5-9-6-15(14-13-9)7-11(17)18/h6,8H,3-5,7H2,1-2H3,(H,12,16)(H,17,18)
InChIKeyYPDDGELQPLKNFX-UHFFFAOYSA-N
XLogP-0.21
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 ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[(4-methoxy-3-methylbutanoyl)amino]methyl]triazol-1-yl]acetic acid
CID 113313833
2-[4-[[3-(2,5-dimethylphenoxy)propanoylamino]methyl]triazol-1-yl]acetic acid
CID 120698055
2-[4-[[3-(3,5-dimethoxyphenyl)propanoylamino]methyl]triazol-1-yl]acetic acid
CID 120698949
2-[4-[(3-phenylsulfanylpropanoylamino)methyl]triazol-1-yl]acetic acid
CID 120698198
3-[1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]triazol-4-yl]propanoic acid
CID 107460973
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-[[[methyl(2-methylpropyl)carbamoyl]amino]methyl]triazol-1-yl]acetic acid
CID 113314010
2-[4-[[[2-(3,3-dimethylbutanoylamino)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698047
2-[4-[[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698966
2-[4-[[4-(3-bromophenoxy)butanoylamino]methyl]triazol-1-yl]acetic acid
CID 120698942

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-propan-2-yloxypropanoylamino)methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(3-propan-2-yloxypropanoylamino)methyl]triazol-1-yl]acetic acid (CID 120698322) is 2-[4-[(3-propan-2-yloxypropanoylamino)methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(3-propan-2-yloxypropanoylamino)methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(3-propan-2-yloxypropanoylamino)methyl]triazol-1-yl]acetic acid is CC(C)OCCC(=O)NCc1cn(CC(=O)O)nn1.
What is the InChIKey of 2-[4-[(3-propan-2-yloxypropanoylamino)methyl]triazol-1-yl]acetic acid?
The InChIKey is YPDDGELQPLKNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-8(2)19-4-3-10(16)12-5-9-6-15(14-13-9)7-11(17)18/h6,8H,3-5,7H2,1-2H3,(H,12,16)(H,17,18).
What are the key properties of 2-[4-[(3-propan-2-yloxypropanoylamino)methyl]triazol-1-yl]acetic acid?
2-[4-[(3-propan-2-yloxypropanoylamino)methyl]triazol-1-yl]acetic acid has a molecular weight of 270.29 g/mol, XLogP of -0.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-propan-2-yloxypropanoylamino)methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 120698322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).