2-[3-cyclopropyl-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-triazol-1-yl]acetic acid

C14H20N4O3 — CID 74235417

IUPAC2-[3-cyclopropyl-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-triazol-1-yl]acetic acid
SMILESO=C(O)Cn1nc(C2CC2)nc1CCCN1CCCC1=O
InChIInChI=1S/C14H20N4O3/c19-12-4-2-8-17(12)7-1-3-11-15-14(10-5-6-10)16-18(11)9-13(20)21/h10H,1-9H2,(H,20,21)
InChIKeyBNPWCEZUVNQWTF-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.80
Rot. Bonds7

About 2-[3-cyclopropyl-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-triazol-1-yl]acetic acid

2-[3-cyclopropyl-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-triazol-1-yl]acetic acid (PubChem CID 74235417) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[3-cyclopropyl-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-cyclopropyl-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-triazol-1-yl]acetic acid
PubChem CID74235417
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-[3-cyclopropyl-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-triazol-1-yl]acetic acid
SMILESO=C(O)Cn1nc(C2CC2)nc1CCCN1CCCC1=O
InChIInChI=1S/C14H20N4O3/c19-12-4-2-8-17(12)7-1-3-11-15-14(10-5-6-10)16-18(11)9-13(20)21/h10H,1-9H2,(H,20,21)
InChIKeyBNPWCEZUVNQWTF-UHFFFAOYSA-N
XLogP0.80
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[5-cyclopropyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]azepan-2-one
CID 131914682
1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidin-2-one
CID 29213543
4-(2-oxopiperidin-1-yl)butanoic acid
CID 12842029
1-(22-hydroxydocosyl)pyrrolidin-2-one
CID 151557638
1-[4-[3-(2-oxopyrrolidin-1-yl)propoxy]butyl]pyrrolidin-2-one
CID 67634239
1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one
CID 72861593
1-[3-[dicyclopentyl(hydroxy)silyl]propyl]pyrrolidin-2-one
CID 67250494
1-[3-[2-(cyclohexylmethyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]propyl]pyrrolidin-2-one
CID 72838650
N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(2-oxopiperidin-1-yl)acetamide
CID 166245439
1-[4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one
CID 91841866
1-(3-phenylpropyl)pyrrolidin-2-one;dihydrochloride
CID 142636287
1-dodecylpyrrolidin-2-one
CID 70222371

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopropyl-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-triazol-1-yl]acetic acid?
The IUPAC name of 2-[3-cyclopropyl-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-triazol-1-yl]acetic acid (CID 74235417) is 2-[3-cyclopropyl-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-cyclopropyl-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-triazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-cyclopropyl-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-triazol-1-yl]acetic acid is O=C(O)Cn1nc(C2CC2)nc1CCCN1CCCC1=O.
What is the InChIKey of 2-[3-cyclopropyl-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-triazol-1-yl]acetic acid?
The InChIKey is BNPWCEZUVNQWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c19-12-4-2-8-17(12)7-1-3-11-15-14(10-5-6-10)16-18(11)9-13(20)21/h10H,1-9H2,(H,20,21).
What are the key properties of 2-[3-cyclopropyl-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-triazol-1-yl]acetic acid?
2-[3-cyclopropyl-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-triazol-1-yl]acetic acid has a molecular weight of 292.34 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopropyl-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-triazol-1-yl]acetic acid is sourced from PubChem (CID 74235417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).