(2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-methylpyrrolidine-2-carboxamide

C21H22N2O3 — CID 42618111

IUPAC(2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCN1C(=O)CC1(O)c2ccccc2-c2ccccc21
InChIInChI=1S/C21H22N2O3/c1-22-20(25)18-11-6-12-23(18)19(24)13-21(26)16-9-4-2-7-14(16)15-8-3-5-10-17(15)21/h2-5,7-10,18,26H,6,11-13H2,1H3,(H,22,25)/t18-/m0/s1
InChIKeyVOLIWBOPCDCNTG-SFHVURJKSA-N
MW350.42 g/mol
LogP2.03
Rot. Bonds3

About (2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-methylpyrrolidine-2-carboxamide

(2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 42618111) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is (2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID42618111
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name(2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCN1C(=O)CC1(O)c2ccccc2-c2ccccc21
InChIInChI=1S/C21H22N2O3/c1-22-20(25)18-11-6-12-23(18)19(24)13-21(26)16-9-4-2-7-14(16)15-8-3-5-10-17(15)21/h2-5,7-10,18,26H,6,11-13H2,1H3,(H,22,25)/t18-/m0/s1
InChIKeyVOLIWBOPCDCNTG-SFHVURJKSA-N
XLogP2.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-1-(9-Hydroxy-9H-fluorene-9-carbonyl)-pyrrolidine-2-carboxylic acid (4-amino-cyclohexylmethyl)-amide
CID 10025885
2-amino-N-[(2R)-1-(1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide;hydrochloride
CID 45262712
US10202340, Example 10
CID 134192686
Proline scaffold, 14
CID 42618112
Proline scaffold, 15
CID 42618113
(2S)-N-[3-(diaminomethylideneamino)-3-oxopropyl]-1-(9-hydroxyfluorene-9-carbonyl)pyrrolidine-2-carboxamide
CID 44346049
2-(2,5-dioxopyrrolidin-1-yl)-N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)acetamide
CID 71782135
N1-cyclopentyl-N2-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)oxalamide
CID 71782195
(2S)-N-[(1S)-1-(Hydroxydiphenylmethyl)-3-methylbutyl]-2-pyrrolidinecarboxamide
CID 11954678
(2R)-N-[(1R)-1-(Hydroxydiphenylmethyl)-3-methylbutyl]-2-pyrrolidinecarboxamide, >=98.0% (HPLC)
CID 25171258
N-[1-[hydroxy(diphenyl)methyl]-3-methyl-butyl]pyrrolidine-2-carboxamide
CID 73152592
N-[1(R)-[(2,3-Dihydro-3(RS)-hydroxyspiro[1H-indene-1,4'-piperdin]-1'-yl) carbonyl]-4-phenylbutyl]-2-amino-2-methylpropanamide
CID 9869032

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-methylpyrrolidine-2-carboxamide (CID 42618111) is (2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)[C@@H]1CCCN1C(=O)CC1(O)c2ccccc2-c2ccccc21.
What is the InChIKey of (2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is VOLIWBOPCDCNTG-SFHVURJKSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-22-20(25)18-11-6-12-23(18)19(24)13-21(26)16-9-4-2-7-14(16)15-8-3-5-10-17(15)21/h2-5,7-10,18,26H,6,11-13H2,1H3,(H,22,25)/t18-/m0/s1.
What are the key properties of (2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-methylpyrrolidine-2-carboxamide?
(2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 42618111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).