2-[4-[[3-(3-cyclopentyloxyphenyl)propanoylamino]methyl]triazol-1-yl]acetic acid

C19H24N4O4 — CID 120698424

IUPAC2-[4-[[3-(3-cyclopentyloxyphenyl)propanoylamino]methyl]triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(CNC(=O)CCc2cccc(OC3CCCC3)c2)nn1
InChIInChI=1S/C19H24N4O4/c24-18(20-11-15-12-23(22-21-15)13-19(25)26)9-8-14-4-3-7-17(10-14)27-16-5-1-2-6-16/h3-4,7,10,12,16H,1-2,5-6,8-9,11,13H2,(H,20,24)(H,25,26)
InChIKeyHPQMOXKBEJMVTH-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.93
Rot. Bonds9

About 2-[4-[[3-(3-cyclopentyloxyphenyl)propanoylamino]methyl]triazol-1-yl]acetic acid

2-[4-[[3-(3-cyclopentyloxyphenyl)propanoylamino]methyl]triazol-1-yl]acetic acid (PubChem CID 120698424) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-[4-[[3-(3-cyclopentyloxyphenyl)propanoylamino]methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[3-(3-cyclopentyloxyphenyl)propanoylamino]methyl]triazol-1-yl]acetic acid
PubChem CID120698424
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name2-[4-[[3-(3-cyclopentyloxyphenyl)propanoylamino]methyl]triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(CNC(=O)CCc2cccc(OC3CCCC3)c2)nn1
InChIInChI=1S/C19H24N4O4/c24-18(20-11-15-12-23(22-21-15)13-19(25)26)9-8-14-4-3-7-17(10-14)27-16-5-1-2-6-16/h3-4,7,10,12,16H,1-2,5-6,8-9,11,13H2,(H,20,24)(H,25,26)
InChIKeyHPQMOXKBEJMVTH-UHFFFAOYSA-N
XLogP1.93
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[3-(3,5-dimethoxyphenyl)propanoylamino]methyl]triazol-1-yl]acetic acid
CID 120698949
2-[4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698658
2-[4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698154
N-(2-amino-2-ethylbutyl)-3-(3-cyclopentyloxyphenyl)propanamide
CID 119643365
3-(3-cyclopentyloxyphenyl)-N-[2-(ethylamino)ethyl]propanamide
CID 119508902
2-[4-[(3-phenylsulfanylpropanoylamino)methyl]triazol-1-yl]acetic acid
CID 120698198
2-[4-[[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698966
4-[3-(3-cyclopentyloxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229659
N-[(3-cyclohexyloxyphenyl)methyl]-3-(furan-2-yl)propanamide
CID 86941840
2-[4-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698661
2-[4-[(cyclobutylcarbamoylamino)methyl]triazol-1-yl]acetic acid
CID 115458679
N-(6-amino-3-pyridinyl)-3-(3-cyclopentyloxyphenyl)propanamide;hydrochloride
CID 119516351

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(3-cyclopentyloxyphenyl)propanoylamino]methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[3-(3-cyclopentyloxyphenyl)propanoylamino]methyl]triazol-1-yl]acetic acid (CID 120698424) is 2-[4-[[3-(3-cyclopentyloxyphenyl)propanoylamino]methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[3-(3-cyclopentyloxyphenyl)propanoylamino]methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[3-(3-cyclopentyloxyphenyl)propanoylamino]methyl]triazol-1-yl]acetic acid is O=C(O)Cn1cc(CNC(=O)CCc2cccc(OC3CCCC3)c2)nn1.
What is the InChIKey of 2-[4-[[3-(3-cyclopentyloxyphenyl)propanoylamino]methyl]triazol-1-yl]acetic acid?
The InChIKey is HPQMOXKBEJMVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c24-18(20-11-15-12-23(22-21-15)13-19(25)26)9-8-14-4-3-7-17(10-14)27-16-5-1-2-6-16/h3-4,7,10,12,16H,1-2,5-6,8-9,11,13H2,(H,20,24)(H,25,26).
What are the key properties of 2-[4-[[3-(3-cyclopentyloxyphenyl)propanoylamino]methyl]triazol-1-yl]acetic acid?
2-[4-[[3-(3-cyclopentyloxyphenyl)propanoylamino]methyl]triazol-1-yl]acetic acid has a molecular weight of 372.43 g/mol, XLogP of 1.93, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(3-cyclopentyloxyphenyl)propanoylamino]methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 120698424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).