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

C11H17N5O5 — CID 115458633

IUPAC2-[4-[[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]methyl]triazol-1-yl]acetic acid
SMILESCOC(=O)CCN(C)C(=O)NCc1cn(CC(=O)O)nn1
InChIInChI=1S/C11H17N5O5/c1-15(4-3-10(19)21-2)11(20)12-5-8-6-16(14-13-8)7-9(17)18/h6H,3-5,7H2,1-2H3,(H,12,20)(H,17,18)
InChIKeyMVTNGIHQORSUGL-UHFFFAOYSA-N
MW299.29 g/mol
LogP-0.93
Rot. Bonds7

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

2-[4-[[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]methyl]triazol-1-yl]acetic acid (PubChem CID 115458633) has the molecular formula C11H17N5O5 and a molecular weight of 299.29 g/mol. Its IUPAC name is 2-[4-[[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]methyl]triazol-1-yl]acetic acid
PubChem CID115458633
Molecular FormulaC11H17N5O5
Molecular Weight299.29 g/mol
Exact Mass299.12
IUPAC Name2-[4-[[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]methyl]triazol-1-yl]acetic acid
SMILESCOC(=O)CCN(C)C(=O)NCc1cn(CC(=O)O)nn1
InChIInChI=1S/C11H17N5O5/c1-15(4-3-10(19)21-2)11(20)12-5-8-6-16(14-13-8)7-9(17)18/h6H,3-5,7H2,1-2H3,(H,12,20)(H,17,18)
InChIKeyMVTNGIHQORSUGL-UHFFFAOYSA-N
XLogP-0.93
TPSA126.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]methyl]triazol-1-yl]acetic acid with MolForge

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Related Compounds

2-[4-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]triazol-1-yl]acetic acid
CID 115458658
2-[4-[[[methyl(2-methylpropyl)carbamoyl]amino]methyl]triazol-1-yl]acetic acid
CID 113314010
2-[4-[[[2-ethoxyethyl(ethyl)carbamoyl]amino]methyl]triazol-1-yl]acetic acid
CID 115458712
2-[4-[[(3-methoxy-3-methylbutanoyl)amino]methyl]triazol-1-yl]acetic acid
CID 103019161
2-[4-[[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458655
2-[4-[[(2-methoxy-2-methylpropyl)carbamoylamino]methyl]triazol-1-yl]acetic acid
CID 104763980
2-[4-[[[butyl(2-hydroxyethyl)carbamoyl]amino]methyl]triazol-1-yl]acetic acid
CID 115458591
2-[4-[[[3-(methoxymethyl)thiophene-2-carbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698974
2-[4-[(3-propan-2-yloxypropanoylamino)methyl]triazol-1-yl]acetic acid
CID 120698322
2-[4-[[3-(3,5-dimethoxyphenyl)propanoylamino]methyl]triazol-1-yl]acetic acid
CID 120698949
2-[4-[[(4-methoxy-3-methylbutanoyl)amino]methyl]triazol-1-yl]acetic acid
CID 113313833
methyl 2-[4-[[(N-methyl-C-pyrrolidin-1-ylcarbonimidoyl)amino]methyl]triazol-1-yl]acetate
CID 119994918

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]methyl]triazol-1-yl]acetic acid (CID 115458633) is 2-[4-[[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]methyl]triazol-1-yl]acetic acid is COC(=O)CCN(C)C(=O)NCc1cn(CC(=O)O)nn1.
What is the InChIKey of 2-[4-[[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]methyl]triazol-1-yl]acetic acid?
The InChIKey is MVTNGIHQORSUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O5/c1-15(4-3-10(19)21-2)11(20)12-5-8-6-16(14-13-8)7-9(17)18/h6H,3-5,7H2,1-2H3,(H,12,20)(H,17,18).
What are the key properties of 2-[4-[[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]methyl]triazol-1-yl]acetic acid?
2-[4-[[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]methyl]triazol-1-yl]acetic acid has a molecular weight of 299.29 g/mol, XLogP of -0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 115458633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).