2-[1-(6-fluoro-2,3-dihydroindole-1-carbonyl)pyrrolidin-3-yl]acetic acid

C15H17FN2O3 — CID 103499932

IUPAC2-[1-(6-fluoro-2,3-dihydroindole-1-carbonyl)pyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)N2CCc3ccc(F)cc32)C1
InChIInChI=1S/C15H17FN2O3/c16-12-2-1-11-4-6-18(13(11)8-12)15(21)17-5-3-10(9-17)7-14(19)20/h1-2,8,10H,3-7,9H2,(H,19,20)
InChIKeyLKYGOJKJMPKWNS-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.10
Rot. Bonds2

About 2-[1-(6-fluoro-2,3-dihydroindole-1-carbonyl)pyrrolidin-3-yl]acetic acid

2-[1-(6-fluoro-2,3-dihydroindole-1-carbonyl)pyrrolidin-3-yl]acetic acid (PubChem CID 103499932) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-[1-(6-fluoro-2,3-dihydroindole-1-carbonyl)pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-fluoro-2,3-dihydroindole-1-carbonyl)pyrrolidin-3-yl]acetic acid
PubChem CID103499932
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name2-[1-(6-fluoro-2,3-dihydroindole-1-carbonyl)pyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)N2CCc3ccc(F)cc32)C1
InChIInChI=1S/C15H17FN2O3/c16-12-2-1-11-4-6-18(13(11)8-12)15(21)17-5-3-10(9-17)7-14(19)20/h1-2,8,10H,3-7,9H2,(H,19,20)
InChIKeyLKYGOJKJMPKWNS-UHFFFAOYSA-N
XLogP2.10
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-fluoro-2,3-dihydroindole-1-carbonyl)pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(6-fluoro-2,3-dihydroindole-1-carbonyl)pyrrolidin-3-yl]acetic acid (CID 103499932) is 2-[1-(6-fluoro-2,3-dihydroindole-1-carbonyl)pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(6-fluoro-2,3-dihydroindole-1-carbonyl)pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(6-fluoro-2,3-dihydroindole-1-carbonyl)pyrrolidin-3-yl]acetic acid is O=C(O)CC1CCN(C(=O)N2CCc3ccc(F)cc32)C1.
What is the InChIKey of 2-[1-(6-fluoro-2,3-dihydroindole-1-carbonyl)pyrrolidin-3-yl]acetic acid?
The InChIKey is LKYGOJKJMPKWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c16-12-2-1-11-4-6-18(13(11)8-12)15(21)17-5-3-10(9-17)7-14(19)20/h1-2,8,10H,3-7,9H2,(H,19,20).
What are the key properties of 2-[1-(6-fluoro-2,3-dihydroindole-1-carbonyl)pyrrolidin-3-yl]acetic acid?
2-[1-(6-fluoro-2,3-dihydroindole-1-carbonyl)pyrrolidin-3-yl]acetic acid has a molecular weight of 292.31 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-fluoro-2,3-dihydroindole-1-carbonyl)pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 103499932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).