2-[4-[cyclopentyl-[(3-fluorophenyl)methyl]carbamoyl]triazol-1-yl]acetic acid

C17H19FN4O3 — CID 146138168

IUPAC2-[4-[cyclopentyl-[(3-fluorophenyl)methyl]carbamoyl]triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(C(=O)N(Cc2cccc(F)c2)C2CCCC2)nn1
InChIInChI=1S/C17H19FN4O3/c18-13-5-3-4-12(8-13)9-22(14-6-1-2-7-14)17(25)15-10-21(20-19-15)11-16(23)24/h3-5,8,10,14H,1-2,6-7,9,11H2,(H,23,24)
InChIKeyLTSYBYBWGRQTHV-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.09
Rot. Bonds6

About 2-[4-[cyclopentyl-[(3-fluorophenyl)methyl]carbamoyl]triazol-1-yl]acetic acid

2-[4-[cyclopentyl-[(3-fluorophenyl)methyl]carbamoyl]triazol-1-yl]acetic acid (PubChem CID 146138168) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is 2-[4-[cyclopentyl-[(3-fluorophenyl)methyl]carbamoyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[cyclopentyl-[(3-fluorophenyl)methyl]carbamoyl]triazol-1-yl]acetic acid
PubChem CID146138168
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name2-[4-[cyclopentyl-[(3-fluorophenyl)methyl]carbamoyl]triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(C(=O)N(Cc2cccc(F)c2)C2CCCC2)nn1
InChIInChI=1S/C17H19FN4O3/c18-13-5-3-4-12(8-13)9-22(14-6-1-2-7-14)17(25)15-10-21(20-19-15)11-16(23)24/h3-5,8,10,14H,1-2,6-7,9,11H2,(H,23,24)
InChIKeyLTSYBYBWGRQTHV-UHFFFAOYSA-N
XLogP2.09
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3-fluorophenyl)methylcarbamoyl]triazol-1-yl]acetic acid
CID 66288334
3-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-oxopropanoic acid
CID 55049064
1-[(3-fluorophenyl)methyl]-N-methyl-N-[(1S,2R)-2-methylsulfanylcyclopentyl]triazole-4-carboxamide
CID 97060940
1-[(3-fluorophenyl)methyl]-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride
CID 119531085
1-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289938
N-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 138998904
2-chloro-N-cyclobutyl-N-[(3-fluorophenyl)methyl]acetamide
CID 166407663
2-[4-[2-cyanoethyl(cyclopropyl)carbamoyl]triazol-1-yl]acetic acid
CID 66288353
2-[4-[methyl-(2-methylcyclohexyl)carbamoyl]triazol-1-yl]acetic acid
CID 66289181
2-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 62788943
2-[cyclopentyl-[2-(3-fluorophenyl)ethyl]carbamoyl]pyridine-4-carboxylic acid
CID 122056065
2-[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 115580461

Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyclopentyl-[(3-fluorophenyl)methyl]carbamoyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[cyclopentyl-[(3-fluorophenyl)methyl]carbamoyl]triazol-1-yl]acetic acid (CID 146138168) is 2-[4-[cyclopentyl-[(3-fluorophenyl)methyl]carbamoyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[cyclopentyl-[(3-fluorophenyl)methyl]carbamoyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[cyclopentyl-[(3-fluorophenyl)methyl]carbamoyl]triazol-1-yl]acetic acid is O=C(O)Cn1cc(C(=O)N(Cc2cccc(F)c2)C2CCCC2)nn1.
What is the InChIKey of 2-[4-[cyclopentyl-[(3-fluorophenyl)methyl]carbamoyl]triazol-1-yl]acetic acid?
The InChIKey is LTSYBYBWGRQTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c18-13-5-3-4-12(8-13)9-22(14-6-1-2-7-14)17(25)15-10-21(20-19-15)11-16(23)24/h3-5,8,10,14H,1-2,6-7,9,11H2,(H,23,24).
What are the key properties of 2-[4-[cyclopentyl-[(3-fluorophenyl)methyl]carbamoyl]triazol-1-yl]acetic acid?
2-[4-[cyclopentyl-[(3-fluorophenyl)methyl]carbamoyl]triazol-1-yl]acetic acid has a molecular weight of 346.36 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[cyclopentyl-[(3-fluorophenyl)methyl]carbamoyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 146138168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).