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

C23H26N2O3 — CID 42618112

IUPAC(2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-propylpyrrolidine-2-carboxamide
SMILESCCCNC(=O)[C@@H]1CCCN1C(=O)CC1(O)c2ccccc2-c2ccccc21
InChIInChI=1S/C23H26N2O3/c1-2-13-24-22(27)20-12-7-14-25(20)21(26)15-23(28)18-10-5-3-8-16(18)17-9-4-6-11-19(17)23/h3-6,8-11,20,28H,2,7,12-15H2,1H3,(H,24,27)/t20-/m0/s1
InChIKeyAQIVYCRQRUGSRD-FQEVSTJZSA-N
MW378.47 g/mol
LogP2.81
Rot. Bonds5

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

(2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-propylpyrrolidine-2-carboxamide (PubChem CID 42618112) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is (2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-propylpyrrolidine-2-carboxamide
PubChem CID42618112
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name(2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-propylpyrrolidine-2-carboxamide
SMILESCCCNC(=O)[C@@H]1CCCN1C(=O)CC1(O)c2ccccc2-c2ccccc21
InChIInChI=1S/C23H26N2O3/c1-2-13-24-22(27)20-12-7-14-25(20)21(26)15-23(28)18-10-5-3-8-16(18)17-9-4-6-11-19(17)23/h3-6,8-11,20,28H,2,7,12-15H2,1H3,(H,24,27)/t20-/m0/s1
InChIKeyAQIVYCRQRUGSRD-FQEVSTJZSA-N
XLogP2.81
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-propylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-propylpyrrolidine-2-carboxamide (CID 42618112) is (2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-propylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-propylpyrrolidine-2-carboxamide is CCCNC(=O)[C@@H]1CCCN1C(=O)CC1(O)c2ccccc2-c2ccccc21.
What is the InChIKey of (2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-propylpyrrolidine-2-carboxamide?
The InChIKey is AQIVYCRQRUGSRD-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-2-13-24-22(27)20-12-7-14-25(20)21(26)15-23(28)18-10-5-3-8-16(18)17-9-4-6-11-19(17)23/h3-6,8-11,20,28H,2,7,12-15H2,1H3,(H,24,27)/t20-/m0/s1.
What are the key properties of (2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-propylpyrrolidine-2-carboxamide?
(2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-propylpyrrolidine-2-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 2.81, 5 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-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 42618112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).