(3S)-4-methoxy-4-oxo-3-[(9-phenylfluoren-9-yl)amino]butanoic acid

C24H21NO4 — CID 54213132

IUPAC(3S)-4-methoxy-4-oxo-3-[(9-phenylfluoren-9-yl)amino]butanoic acid
SMILESCOC(=O)[C@H](CC(=O)O)NC1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C24H21NO4/c1-29-23(28)21(15-22(26)27)25-24(16-9-3-2-4-10-16)19-13-7-5-11-17(19)18-12-6-8-14-20(18)24/h2-14,21,25H,15H2,1H3,(H,26,27)/t21-/m0/s1
InChIKeyPXIAMERMCRNROD-NRFANRHFSA-N
MW387.44 g/mol
LogP3.56
Rot. Bonds6

About (3S)-4-methoxy-4-oxo-3-[(9-phenylfluoren-9-yl)amino]butanoic acid

(3S)-4-methoxy-4-oxo-3-[(9-phenylfluoren-9-yl)amino]butanoic acid (PubChem CID 54213132) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is (3S)-4-methoxy-4-oxo-3-[(9-phenylfluoren-9-yl)amino]butanoic acid.

Molecular Properties

Compound Name(3S)-4-methoxy-4-oxo-3-[(9-phenylfluoren-9-yl)amino]butanoic acid
PubChem CID54213132
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name(3S)-4-methoxy-4-oxo-3-[(9-phenylfluoren-9-yl)amino]butanoic acid
SMILESCOC(=O)[C@H](CC(=O)O)NC1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C24H21NO4/c1-29-23(28)21(15-22(26)27)25-24(16-9-3-2-4-10-16)19-13-7-5-11-17(19)18-12-6-8-14-20(18)24/h2-14,21,25H,15H2,1H3,(H,26,27)/t21-/m0/s1
InChIKeyPXIAMERMCRNROD-NRFANRHFSA-N
XLogP3.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-methoxy-4-oxo-3-[(9-phenylfluoren-9-yl)amino]butanoic acid?
The IUPAC name of (3S)-4-methoxy-4-oxo-3-[(9-phenylfluoren-9-yl)amino]butanoic acid (CID 54213132) is (3S)-4-methoxy-4-oxo-3-[(9-phenylfluoren-9-yl)amino]butanoic acid.
What is the SMILES notation for (3S)-4-methoxy-4-oxo-3-[(9-phenylfluoren-9-yl)amino]butanoic acid?
The canonical SMILES for (3S)-4-methoxy-4-oxo-3-[(9-phenylfluoren-9-yl)amino]butanoic acid is COC(=O)[C@H](CC(=O)O)NC1(c2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of (3S)-4-methoxy-4-oxo-3-[(9-phenylfluoren-9-yl)amino]butanoic acid?
The InChIKey is PXIAMERMCRNROD-NRFANRHFSA-N. The full InChI is InChI=1S/C24H21NO4/c1-29-23(28)21(15-22(26)27)25-24(16-9-3-2-4-10-16)19-13-7-5-11-17(19)18-12-6-8-14-20(18)24/h2-14,21,25H,15H2,1H3,(H,26,27)/t21-/m0/s1.
What are the key properties of (3S)-4-methoxy-4-oxo-3-[(9-phenylfluoren-9-yl)amino]butanoic acid?
(3S)-4-methoxy-4-oxo-3-[(9-phenylfluoren-9-yl)amino]butanoic acid has a molecular weight of 387.44 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-methoxy-4-oxo-3-[(9-phenylfluoren-9-yl)amino]butanoic acid is sourced from PubChem (CID 54213132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).