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

C23H26N2O4 — CID 42618113

IUPAC(2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
SMILESCOCCNC(=O)[C@@H]1CCCN1C(=O)CC1(O)c2ccccc2-c2ccccc21
InChIInChI=1S/C23H26N2O4/c1-29-14-12-24-22(27)20-11-6-13-25(20)21(26)15-23(28)18-9-4-2-7-16(18)17-8-3-5-10-19(17)23/h2-5,7-10,20,28H,6,11-15H2,1H3,(H,24,27)/t20-/m0/s1
InChIKeyUJIAWQZSMKUMKD-FQEVSTJZSA-N
MW394.47 g/mol
LogP2.05
Rot. Bonds6

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

(2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide (PubChem CID 42618113) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is (2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
PubChem CID42618113
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name(2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
SMILESCOCCNC(=O)[C@@H]1CCCN1C(=O)CC1(O)c2ccccc2-c2ccccc21
InChIInChI=1S/C23H26N2O4/c1-29-14-12-24-22(27)20-11-6-13-25(20)21(26)15-23(28)18-9-4-2-7-16(18)17-8-3-5-10-19(17)23/h2-5,7-10,20,28H,6,11-15H2,1H3,(H,24,27)/t20-/m0/s1
InChIKeyUJIAWQZSMKUMKD-FQEVSTJZSA-N
XLogP2.05
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide (CID 42618113) is (2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide is COCCNC(=O)[C@@H]1CCCN1C(=O)CC1(O)c2ccccc2-c2ccccc21.
What is the InChIKey of (2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide?
The InChIKey is UJIAWQZSMKUMKD-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-29-14-12-24-22(27)20-11-6-13-25(20)21(26)15-23(28)18-9-4-2-7-16(18)17-8-3-5-10-19(17)23/h2-5,7-10,20,28H,6,11-15H2,1H3,(H,24,27)/t20-/m0/s1.
What are the key properties of (2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide?
(2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(9-hydroxyfluoren-9-yl)acetyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 42618113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).