2-[4-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid

C12H19N5O4 — CID 115458536

IUPAC2-[4-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid
SMILESCCC1CN(C(=O)NCc2cn(CC(=O)O)nn2)CCO1
InChIInChI=1S/C12H19N5O4/c1-2-10-7-16(3-4-21-10)12(20)13-5-9-6-17(15-14-9)8-11(18)19/h6,10H,2-5,7-8H2,1H3,(H,13,20)(H,18,19)
InChIKeyGWZFPIJQWAHWTF-UHFFFAOYSA-N
MW297.32 g/mol
LogP-0.32
Rot. Bonds5

About 2-[4-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid

2-[4-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid (PubChem CID 115458536) has the molecular formula C12H19N5O4 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-[4-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid
PubChem CID115458536
Molecular FormulaC12H19N5O4
Molecular Weight297.32 g/mol
Exact Mass297.14
IUPAC Name2-[4-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid
SMILESCCC1CN(C(=O)NCc2cn(CC(=O)O)nn2)CCO1
InChIInChI=1S/C12H19N5O4/c1-2-10-7-16(3-4-21-10)12(20)13-5-9-6-17(15-14-9)8-11(18)19/h6,10H,2-5,7-8H2,1H3,(H,13,20)(H,18,19)
InChIKeyGWZFPIJQWAHWTF-UHFFFAOYSA-N
XLogP-0.32
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(3,6-dihydro-2H-pyridine-1-carbonylamino)methyl]triazol-1-yl]acetic acid
CID 114411536
(2R)-2-ethyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
CID 95285314
2-[4-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 113314016
2-[4-[[(3-oxopiperazine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115458456
2-[4-[[2-(oxolan-2-yl)ethylcarbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458644
(2R)-2-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-4-carboxamide
CID 95280201
2-[4-[[(3-methylthiomorpholine-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115458729
(2S)-N-[(5-bromothiophen-3-yl)methyl]-2-ethylmorpholine-4-carboxamide
CID 97097732
2-[4-[[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 102783164
2-[4-[[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698437
2-[4-[[(5-methyloxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 114824565
N-(2-aminoethyl)-2-ethylmorpholine-4-carboxamide
CID 82506232

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid (CID 115458536) is 2-[4-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid is CCC1CN(C(=O)NCc2cn(CC(=O)O)nn2)CCO1.
What is the InChIKey of 2-[4-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
The InChIKey is GWZFPIJQWAHWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O4/c1-2-10-7-16(3-4-21-10)12(20)13-5-9-6-17(15-14-9)8-11(18)19/h6,10H,2-5,7-8H2,1H3,(H,13,20)(H,18,19).
What are the key properties of 2-[4-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
2-[4-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid has a molecular weight of 297.32 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 115458536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).