2-[4-[(2-cyclohexylpyrrolidin-1-yl)methyl]triazol-1-yl]acetic acid

C15H24N4O2 — CID 154763081

IUPAC2-[4-[(2-cyclohexylpyrrolidin-1-yl)methyl]triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(CN2CCCC2C2CCCCC2)nn1
InChIInChI=1S/C15H24N4O2/c20-15(21)11-19-10-13(16-17-19)9-18-8-4-7-14(18)12-5-2-1-3-6-12/h10,12,14H,1-9,11H2,(H,20,21)
InChIKeyPVXRRYUMWDLBMO-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.91
Rot. Bonds5

About 2-[4-[(2-cyclohexylpyrrolidin-1-yl)methyl]triazol-1-yl]acetic acid

2-[4-[(2-cyclohexylpyrrolidin-1-yl)methyl]triazol-1-yl]acetic acid (PubChem CID 154763081) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[4-[(2-cyclohexylpyrrolidin-1-yl)methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-cyclohexylpyrrolidin-1-yl)methyl]triazol-1-yl]acetic acid
PubChem CID154763081
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-[4-[(2-cyclohexylpyrrolidin-1-yl)methyl]triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(CN2CCCC2C2CCCCC2)nn1
InChIInChI=1S/C15H24N4O2/c20-15(21)11-19-10-13(16-17-19)9-18-8-4-7-14(18)12-5-2-1-3-6-12/h10,12,14H,1-9,11H2,(H,20,21)
InChIKeyPVXRRYUMWDLBMO-UHFFFAOYSA-N
XLogP1.91
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[2-[(E)-2-phenylethenyl]azepan-1-yl]methyl]triazol-1-yl]acetic acid
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2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetic acid;hydrochloride
CID 67010209
2-[4-(aminomethyl)triazol-1-yl]-1-(2-cyclopentylpyrrolidin-1-yl)ethanone
CID 115459724
2-[4-[(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]triazol-1-yl]acetic acid
CID 113313884
2-(4-ethyltriazol-1-yl)acetic acid
CID 67477110
2-[4-(2,5-dihydropyrrol-1-ylmethyl)triazol-1-yl]acetic acid
CID 115458808
2-[4-[(cycloheptylcarbamoylamino)methyl]triazol-1-yl]acetic acid
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2-[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]phenyl]acetic acid
CID 102727074
3-[(2S)-2-cyclohexylpyrrolidin-1-yl]propanoic acid
CID 42576565
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]prop-2-enoic acid
CID 102727093
2-[4-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-cyclohexylpyrrolidin-1-yl)methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2-cyclohexylpyrrolidin-1-yl)methyl]triazol-1-yl]acetic acid (CID 154763081) is 2-[4-[(2-cyclohexylpyrrolidin-1-yl)methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2-cyclohexylpyrrolidin-1-yl)methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2-cyclohexylpyrrolidin-1-yl)methyl]triazol-1-yl]acetic acid is O=C(O)Cn1cc(CN2CCCC2C2CCCCC2)nn1.
What is the InChIKey of 2-[4-[(2-cyclohexylpyrrolidin-1-yl)methyl]triazol-1-yl]acetic acid?
The InChIKey is PVXRRYUMWDLBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c20-15(21)11-19-10-13(16-17-19)9-18-8-4-7-14(18)12-5-2-1-3-6-12/h10,12,14H,1-9,11H2,(H,20,21).
What are the key properties of 2-[4-[(2-cyclohexylpyrrolidin-1-yl)methyl]triazol-1-yl]acetic acid?
2-[4-[(2-cyclohexylpyrrolidin-1-yl)methyl]triazol-1-yl]acetic acid has a molecular weight of 292.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-cyclohexylpyrrolidin-1-yl)methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 154763081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).