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

C11H17N5O4 — CID 115458139

IUPAC2-[4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
SMILESCOC1CNC(C(=O)NCc2cn(CC(=O)O)nn2)C1
InChIInChI=1S/C11H17N5O4/c1-20-8-2-9(12-4-8)11(19)13-3-7-5-16(15-14-7)6-10(17)18/h5,8-9,12H,2-4,6H2,1H3,(H,13,19)(H,17,18)
InChIKeyGLJSURBIRPZOIY-UHFFFAOYSA-N
MW283.29 g/mol
LogP-1.64
Rot. Bonds6

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

2-[4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid (PubChem CID 115458139) has the molecular formula C11H17N5O4 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
PubChem CID115458139
Molecular FormulaC11H17N5O4
Molecular Weight283.29 g/mol
Exact Mass283.13
IUPAC Name2-[4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
SMILESCOC1CNC(C(=O)NCc2cn(CC(=O)O)nn2)C1
InChIInChI=1S/C11H17N5O4/c1-20-8-2-9(12-4-8)11(19)13-3-7-5-16(15-14-7)6-10(17)18/h5,8-9,12H,2-4,6H2,1H3,(H,13,19)(H,17,18)
InChIKeyGLJSURBIRPZOIY-UHFFFAOYSA-N
XLogP-1.64
TPSA118.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(1,3-thiazolidine-4-carbonylamino)methyl]triazol-1-yl]acetic acid
CID 115458165
4-methoxy-N-(pyridazin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 106896215
2-[4-[[(5-methyloxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 114824565
2-[4-[(bicyclo[2.2.1]heptane-2-carbonylamino)methyl]triazol-1-yl]acetic acid
CID 115457463
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 112669300
4-methoxy-N-(1,2-oxazol-5-ylmethyl)pyrrolidine-2-carboxamide
CID 106417108
2-[4-[[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]methyl]triazol-1-yl]acetic acid
CID 115458633
2-[4-[[(3-methoxy-3-methylbutanoyl)amino]methyl]triazol-1-yl]acetic acid
CID 103019161
methyl 4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]benzoate
CID 61274724
N-(1-ethylpyrazol-4-yl)-4-methoxypyrrolidine-2-carboxamide
CID 61213731
2-[4-[(oxane-2-carbonylamino)methyl]triazol-1-yl]acetic acid
CID 113313868
2-[4-[[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698405

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid (CID 115458139) is 2-[4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid is COC1CNC(C(=O)NCc2cn(CC(=O)O)nn2)C1.
What is the InChIKey of 2-[4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
The InChIKey is GLJSURBIRPZOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O4/c1-20-8-2-9(12-4-8)11(19)13-3-7-5-16(15-14-7)6-10(17)18/h5,8-9,12H,2-4,6H2,1H3,(H,13,19)(H,17,18).
What are the key properties of 2-[4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
2-[4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid has a molecular weight of 283.29 g/mol, XLogP of -1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 115458139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).