1-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid

C11H16N4O3 — CID 113309078

IUPAC1-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(Cn1ccnn1)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C11H16N4O3/c16-9(7-15-6-5-13-14-15)12-8-11(10(17)18)3-1-2-4-11/h5-6H,1-4,7-8H2,(H,12,16)(H,17,18)
InChIKeyIJZFYICQOONFJZ-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.04
Rot. Bonds5

About 1-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid

1-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 113309078) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID113309078
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name1-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(Cn1ccnn1)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C11H16N4O3/c16-9(7-15-6-5-13-14-15)12-8-11(10(17)18)3-1-2-4-11/h5-6H,1-4,7-8H2,(H,12,16)(H,17,18)
InChIKeyIJZFYICQOONFJZ-UHFFFAOYSA-N
XLogP0.04
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-(triazol-1-yl)propanoylamino]methyl]oxane-4-carboxylic acid
CID 115438215
1-[[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115460265
2-methyl-1-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 113291650
N-[1-(aminomethyl)cyclopentyl]-2-(triazol-1-yl)acetamide
CID 81478484
N-[1-(hydroxymethyl)cyclopropyl]-2-(triazol-1-yl)acetamide
CID 115877790
1-[[[2-(4-nitropyrazol-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544470
N-[[1-(2-chloro-4-fluorophenyl)cyclopentyl]methyl]-2-(triazol-1-yl)acetamide
CID 126785962
1-[[(2-piperazin-1-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433571
5-[[2-(triazol-1-yl)acetyl]amino]pentanoic acid
CID 115348185
2-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115348218
1-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115432907
N-propan-2-yl-2-(triazol-1-yl)acetamide
CID 79807214

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid (CID 113309078) is 1-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid is O=C(Cn1ccnn1)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is IJZFYICQOONFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c16-9(7-15-6-5-13-14-15)12-8-11(10(17)18)3-1-2-4-11/h5-6H,1-4,7-8H2,(H,12,16)(H,17,18).
What are the key properties of 1-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid?
1-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 113309078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).