2-[cyclopentyl-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]amino]acetic acid

C13H21N3O3 — CID 65058790

IUPAC2-[cyclopentyl-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]amino]acetic acid
SMILESO=C(O)CN(Cc1cnn(CCO)c1)C1CCCC1
InChIInChI=1S/C13H21N3O3/c17-6-5-16-9-11(7-14-16)8-15(10-13(18)19)12-3-1-2-4-12/h7,9,12,17H,1-6,8,10H2,(H,18,19)
InChIKeyYFXUQVYMGSVEEG-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.70
Rot. Bonds7

About 2-[cyclopentyl-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]amino]acetic acid

2-[cyclopentyl-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]amino]acetic acid (PubChem CID 65058790) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[cyclopentyl-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]amino]acetic acid
PubChem CID65058790
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[cyclopentyl-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]amino]acetic acid
SMILESO=C(O)CN(Cc1cnn(CCO)c1)C1CCCC1
InChIInChI=1S/C13H21N3O3/c17-6-5-16-9-11(7-14-16)8-15(10-13(18)19)12-3-1-2-4-12/h7,9,12,17H,1-6,8,10H2,(H,18,19)
InChIKeyYFXUQVYMGSVEEG-UHFFFAOYSA-N
XLogP0.70
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropyl-[(1-ethylpyrazol-4-yl)methyl]amino]acetic acid
CID 62125880
3-[cyclopropyl-[(1-ethylpyrazol-4-yl)methyl]amino]propanoic acid
CID 55041385
2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid
CID 46993000
2-[cyclopropyl-[(1-ethylpyrazol-4-yl)methyl]amino]ethanol
CID 62128079
3-[ethyl-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]amino]propanoic acid
CID 65062810
1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]azepane-2-carboxylic acid
CID 65069711
2-[cyclopentyl-[(1-methylindol-3-yl)methyl]amino]acetic acid
CID 65058560
2-[cyclopentyl-[(4-cyclopropylphenyl)methyl]amino]acetic acid
CID 79976968
2-[cyclohexyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 39361490
2-[cyclopentyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid
CID 54926515
2-[4-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 60950282
2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetic acid;dihydrochloride
CID 132891596

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]amino]acetic acid (CID 65058790) is 2-[cyclopentyl-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]amino]acetic acid is O=C(O)CN(Cc1cnn(CCO)c1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]amino]acetic acid?
The InChIKey is YFXUQVYMGSVEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c17-6-5-16-9-11(7-14-16)8-15(10-13(18)19)12-3-1-2-4-12/h7,9,12,17H,1-6,8,10H2,(H,18,19).
What are the key properties of 2-[cyclopentyl-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]amino]acetic acid?
2-[cyclopentyl-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]amino]acetic acid has a molecular weight of 267.33 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]amino]acetic acid is sourced from PubChem (CID 65058790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).