(2R)-2-acetamido-3-(9H-fluoren-3-yl)propanoic acid

C18H17NO3 — CID 125463442

IUPAC(2R)-2-acetamido-3-(9H-fluoren-3-yl)propanoic acid
SMILESCC(=O)N[C@H](Cc1ccc2c(c1)-c1ccccc1C2)C(=O)O
InChIInChI=1S/C18H17NO3/c1-11(20)19-17(18(21)22)9-12-6-7-14-10-13-4-2-3-5-15(13)16(14)8-12/h2-8,17H,9-10H2,1H3,(H,19,20)(H,21,22)/t17-/m1/s1
InChIKeyFZVABQMSCNLHIR-QGZVFWFLSA-N
MW295.34 g/mol
LogP2.39
Rot. Bonds4

About (2R)-2-acetamido-3-(9H-fluoren-3-yl)propanoic acid

(2R)-2-acetamido-3-(9H-fluoren-3-yl)propanoic acid (PubChem CID 125463442) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is (2R)-2-acetamido-3-(9H-fluoren-3-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-acetamido-3-(9H-fluoren-3-yl)propanoic acid
PubChem CID125463442
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name(2R)-2-acetamido-3-(9H-fluoren-3-yl)propanoic acid
SMILESCC(=O)N[C@H](Cc1ccc2c(c1)-c1ccccc1C2)C(=O)O
InChIInChI=1S/C18H17NO3/c1-11(20)19-17(18(21)22)9-12-6-7-14-10-13-4-2-3-5-15(13)16(14)8-12/h2-8,17H,9-10H2,1H3,(H,19,20)(H,21,22)/t17-/m1/s1
InChIKeyFZVABQMSCNLHIR-QGZVFWFLSA-N
XLogP2.39
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-acetamido-3-(9H-fluoren-3-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-(9H-fluoren-3-yl)propanoic acid?
The IUPAC name of (2R)-2-acetamido-3-(9H-fluoren-3-yl)propanoic acid (CID 125463442) is (2R)-2-acetamido-3-(9H-fluoren-3-yl)propanoic acid.
What is the SMILES notation for (2R)-2-acetamido-3-(9H-fluoren-3-yl)propanoic acid?
The canonical SMILES for (2R)-2-acetamido-3-(9H-fluoren-3-yl)propanoic acid is CC(=O)N[C@H](Cc1ccc2c(c1)-c1ccccc1C2)C(=O)O.
What is the InChIKey of (2R)-2-acetamido-3-(9H-fluoren-3-yl)propanoic acid?
The InChIKey is FZVABQMSCNLHIR-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H17NO3/c1-11(20)19-17(18(21)22)9-12-6-7-14-10-13-4-2-3-5-15(13)16(14)8-12/h2-8,17H,9-10H2,1H3,(H,19,20)(H,21,22)/t17-/m1/s1.
What are the key properties of (2R)-2-acetamido-3-(9H-fluoren-3-yl)propanoic acid?
(2R)-2-acetamido-3-(9H-fluoren-3-yl)propanoic acid has a molecular weight of 295.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-(9H-fluoren-3-yl)propanoic acid is sourced from PubChem (CID 125463442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).