(2S,3R)-2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]oxybutanoic acid

C23H20ClNO3 — CID 54481020

IUPAC(2S,3R)-2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]oxybutanoic acid
SMILESC[C@@H](OC1(c2ccc(Cl)cc2)c2ccccc2-c2ccccc21)[C@H](N)C(=O)O
InChIInChI=1S/C23H20ClNO3/c1-14(21(25)22(26)27)28-23(15-10-12-16(24)13-11-15)19-8-4-2-6-17(19)18-7-3-5-9-20(18)23/h2-14,21H,25H2,1H3,(H,26,27)/t14-,21+/m1/s1
InChIKeyXOZRKAXCAWIKIH-SZNDQCEHSA-N
MW393.87 g/mol
LogP4.43
Rot. Bonds5

About (2S,3R)-2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]oxybutanoic acid

(2S,3R)-2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]oxybutanoic acid (PubChem CID 54481020) has the molecular formula C23H20ClNO3 and a molecular weight of 393.87 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]oxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]oxybutanoic acid
PubChem CID54481020
Molecular FormulaC23H20ClNO3
Molecular Weight393.87 g/mol
Exact Mass393.11
IUPAC Name(2S,3R)-2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]oxybutanoic acid
SMILESC[C@@H](OC1(c2ccc(Cl)cc2)c2ccccc2-c2ccccc21)[C@H](N)C(=O)O
InChIInChI=1S/C23H20ClNO3/c1-14(21(25)22(26)27)28-23(15-10-12-16(24)13-11-15)19-8-4-2-6-17(19)18-7-3-5-9-20(18)23/h2-14,21H,25H2,1H3,(H,26,27)/t14-,21+/m1/s1
InChIKeyXOZRKAXCAWIKIH-SZNDQCEHSA-N
XLogP4.43
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]oxybutanoic acid?
The IUPAC name of (2S,3R)-2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]oxybutanoic acid (CID 54481020) is (2S,3R)-2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]oxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]oxybutanoic acid?
The canonical SMILES for (2S,3R)-2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]oxybutanoic acid is C[C@@H](OC1(c2ccc(Cl)cc2)c2ccccc2-c2ccccc21)[C@H](N)C(=O)O.
What is the InChIKey of (2S,3R)-2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]oxybutanoic acid?
The InChIKey is XOZRKAXCAWIKIH-SZNDQCEHSA-N. The full InChI is InChI=1S/C23H20ClNO3/c1-14(21(25)22(26)27)28-23(15-10-12-16(24)13-11-15)19-8-4-2-6-17(19)18-7-3-5-9-20(18)23/h2-14,21H,25H2,1H3,(H,26,27)/t14-,21+/m1/s1.
What are the key properties of (2S,3R)-2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]oxybutanoic acid?
(2S,3R)-2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]oxybutanoic acid has a molecular weight of 393.87 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]oxybutanoic acid is sourced from PubChem (CID 54481020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).