3-[2-[3-(9H-fluoren-9-ylamino)-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid

C23H24N2O4 — CID 91772855

IUPAC3-[2-[3-(9H-fluoren-9-ylamino)-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid
SMILESO=C(O)CCC1(CCC(=O)NC2c3ccccc3-c3ccccc32)CCC(=O)N1
InChIInChI=1S/C23H24N2O4/c26-19(9-12-23(14-11-21(28)29)13-10-20(27)25-23)24-22-17-7-3-1-5-15(17)16-6-2-4-8-18(16)22/h1-8,22H,9-14H2,(H,24,26)(H,25,27)(H,28,29)
InChIKeyPKHGHNWRNNEABC-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.17
Rot. Bonds7

About 3-[2-[3-(9H-fluoren-9-ylamino)-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid

3-[2-[3-(9H-fluoren-9-ylamino)-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid (PubChem CID 91772855) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-[2-[3-(9H-fluoren-9-ylamino)-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-[3-(9H-fluoren-9-ylamino)-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid
PubChem CID91772855
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name3-[2-[3-(9H-fluoren-9-ylamino)-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid
SMILESO=C(O)CCC1(CCC(=O)NC2c3ccccc3-c3ccccc32)CCC(=O)N1
InChIInChI=1S/C23H24N2O4/c26-19(9-12-23(14-11-21(28)29)13-10-20(27)25-23)24-22-17-7-3-1-5-15(17)16-6-2-4-8-18(16)22/h1-8,22H,9-14H2,(H,24,26)(H,25,27)(H,28,29)
InChIKeyPKHGHNWRNNEABC-UHFFFAOYSA-N
XLogP3.17
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(9H-fluoren-9-ylamino)-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid?
The IUPAC name of 3-[2-[3-(9H-fluoren-9-ylamino)-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid (CID 91772855) is 3-[2-[3-(9H-fluoren-9-ylamino)-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[2-[3-(9H-fluoren-9-ylamino)-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid?
The canonical SMILES for 3-[2-[3-(9H-fluoren-9-ylamino)-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid is O=C(O)CCC1(CCC(=O)NC2c3ccccc3-c3ccccc32)CCC(=O)N1.
What is the InChIKey of 3-[2-[3-(9H-fluoren-9-ylamino)-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid?
The InChIKey is PKHGHNWRNNEABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c26-19(9-12-23(14-11-21(28)29)13-10-20(27)25-23)24-22-17-7-3-1-5-15(17)16-6-2-4-8-18(16)22/h1-8,22H,9-14H2,(H,24,26)(H,25,27)(H,28,29).
What are the key properties of 3-[2-[3-(9H-fluoren-9-ylamino)-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid?
3-[2-[3-(9H-fluoren-9-ylamino)-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid has a molecular weight of 392.46 g/mol, XLogP of 3.17, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(9H-fluoren-9-ylamino)-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid is sourced from PubChem (CID 91772855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).