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

C12H18N4O3 — CID 115348218

IUPAC2-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(Cn1ccnn1)NCC1CCCCC1C(=O)O
InChIInChI=1S/C12H18N4O3/c17-11(8-16-6-5-14-15-16)13-7-9-3-1-2-4-10(9)12(18)19/h5-6,9-10H,1-4,7-8H2,(H,13,17)(H,18,19)
InChIKeyVHDOOEJHZAFFPD-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.29
Rot. Bonds5

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

2-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 115348218) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID115348218
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(Cn1ccnn1)NCC1CCCCC1C(=O)O
InChIInChI=1S/C12H18N4O3/c17-11(8-16-6-5-14-15-16)13-7-9-3-1-2-4-10(9)12(18)19/h5-6,9-10H,1-4,7-8H2,(H,13,17)(H,18,19)
InChIKeyVHDOOEJHZAFFPD-UHFFFAOYSA-N
XLogP0.29
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide
CID 81478292
N-cycloheptyl-2-(triazol-1-yl)acetamide
CID 154733961
N-[(1R,2R)-2-aminocyclohexyl]-2-(triazol-1-yl)acetamide
CID 103805775
N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
CID 125178566
N-[(1-acetylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide
CID 119075119
N-(2-aminocyclopentyl)-2-(triazol-1-yl)acetamide
CID 115348385
N-[(2-hydroxycyclohexyl)methyl]-2-pyrazol-1-ylacetamide
CID 64927127
N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
CID 118779682
trans-(1S,2R)-2-[(3-chloropropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 108755885
1-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 113309078
2-methyl-1-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 113291650
trans-(1S,2R)-2-[[(2-cyanoacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 108755758

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 115348218) is 2-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid is O=C(Cn1ccnn1)NCC1CCCCC1C(=O)O.
What is the InChIKey of 2-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is VHDOOEJHZAFFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c17-11(8-16-6-5-14-15-16)13-7-9-3-1-2-4-10(9)12(18)19/h5-6,9-10H,1-4,7-8H2,(H,13,17)(H,18,19).
What are the key properties of 2-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid?
2-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115348218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).