(3S)-1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylic acid

C18H15NO3 — CID 51616571

IUPAC(3S)-1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1
InChIInChI=1S/C18H15NO3/c20-17-9-13(18(21)22)10-19(17)14-5-6-16-12(8-14)7-11-3-1-2-4-15(11)16/h1-6,8,13H,7,9-10H2,(H,21,22)/t13-/m0/s1
InChIKeyHMPIZBBMBPLROU-ZDUSSCGKSA-N
MW293.32 g/mol
LogP2.70
Rot. Bonds2

About (3S)-1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylic acid

(3S)-1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 51616571) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is (3S)-1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID51616571
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name(3S)-1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1
InChIInChI=1S/C18H15NO3/c20-17-9-13(18(21)22)10-19(17)14-5-6-16-12(8-14)7-11-3-1-2-4-15(11)16/h1-6,8,13H,7,9-10H2,(H,21,22)/t13-/m0/s1
InChIKeyHMPIZBBMBPLROU-ZDUSSCGKSA-N
XLogP2.70
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50879672
1-(9H-fluoren-2-yl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119562298
(1-methoxy-1-oxopropan-2-yl) 1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 56799248
5-oxo-1-(1-oxo-3H-2-benzofuran-5-yl)pyrrolidine-3-carboxylic acid
CID 75465472
4-ethenyl-1-(9H-fluoren-2-yl)pyrrolidin-2-one
CID 168685806
(3S)-1-(9H-fluoren-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 97196828
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(9H-fluoren-2-yl)pyrrolidin-2-one
CID 120808303
1-(9H-fluoren-2-yl)-4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119540813
5-oxo-1-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolidine-3-carboxylic acid
CID 168692115
1-[4-(2-chlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 166398727
(3S)-1-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2304169
1-(9H-fluoren-2-yl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 154859754

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylic acid (CID 51616571) is (3S)-1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylic acid is O=C(O)[C@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1.
What is the InChIKey of (3S)-1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is HMPIZBBMBPLROU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H15NO3/c20-17-9-13(18(21)22)10-19(17)14-5-6-16-12(8-14)7-11-3-1-2-4-15(11)16/h1-6,8,13H,7,9-10H2,(H,21,22)/t13-/m0/s1.
What are the key properties of (3S)-1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylic acid?
(3S)-1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 51616571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).