(3S)-1-(9H-fluoren-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide

C23H26N2O3 — CID 97196828

IUPAC(3S)-1-(9H-fluoren-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOC[C@H](C)N(C)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1
InChIInChI=1S/C23H26N2O3/c1-15(14-28-3)24(2)23(27)18-12-22(26)25(13-18)19-8-9-21-17(11-19)10-16-6-4-5-7-20(16)21/h4-9,11,15,18H,10,12-14H2,1-3H3/t15-,18-/m0/s1
InChIKeyMNVRRUKIBNKUPW-YJBOKZPZSA-N
MW378.47 g/mol
LogP3.10
Rot. Bonds5

About (3S)-1-(9H-fluoren-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide

(3S)-1-(9H-fluoren-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 97196828) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is (3S)-1-(9H-fluoren-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(9H-fluoren-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID97196828
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name(3S)-1-(9H-fluoren-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOC[C@H](C)N(C)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1
InChIInChI=1S/C23H26N2O3/c1-15(14-28-3)24(2)23(27)18-12-22(26)25(13-18)19-8-9-21-17(11-19)10-16-6-4-5-7-20(16)21/h4-9,11,15,18H,10,12-14H2,1-3H3/t15-,18-/m0/s1
InChIKeyMNVRRUKIBNKUPW-YJBOKZPZSA-N
XLogP3.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 51616571
(1-methoxy-1-oxopropan-2-yl) 1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 56799248
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
(3R)-N-[(1R)-1-cyclopropylethyl]-1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 95353111
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
4-ethenyl-1-(9H-fluoren-2-yl)pyrrolidin-2-one
CID 168685806
N-(1-aminopropan-2-yl)-1-(3,5-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 119585272
(3S)-N-[(2S)-2-hydroxypropyl]-1-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 95972030
(3S)-1-(3-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9376574
N-methyl-5-oxo-N-propan-2-yl-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 46705245

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(9H-fluoren-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(9H-fluoren-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 97196828) is (3S)-1-(9H-fluoren-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(9H-fluoren-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(9H-fluoren-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide is COC[C@H](C)N(C)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1.
What is the InChIKey of (3S)-1-(9H-fluoren-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MNVRRUKIBNKUPW-YJBOKZPZSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-15(14-28-3)24(2)23(27)18-12-22(26)25(13-18)19-8-9-21-17(11-19)10-16-6-4-5-7-20(16)21/h4-9,11,15,18H,10,12-14H2,1-3H3/t15-,18-/m0/s1.
What are the key properties of (3S)-1-(9H-fluoren-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(9H-fluoren-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(9H-fluoren-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97196828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).