(2S)-2-amino-3-(2-methoxy-9-phenylfluoren-9-yl)oxybutanoic acid

C24H23NO4 — CID 70055882

IUPAC(2S)-2-amino-3-(2-methoxy-9-phenylfluoren-9-yl)oxybutanoic acid
SMILESCOc1ccc2c(c1)C(OC(C)[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C24H23NO4/c1-15(22(25)23(26)27)29-24(16-8-4-3-5-9-16)20-11-7-6-10-18(20)19-13-12-17(28-2)14-21(19)24/h3-15,22H,25H2,1-2H3,(H,26,27)/t15?,22-,24?/m0/s1
InChIKeyQPPDDIUWIGYQBC-SDHJUTELSA-N
MW389.45 g/mol
LogP3.78
Rot. Bonds6

About (2S)-2-amino-3-(2-methoxy-9-phenylfluoren-9-yl)oxybutanoic acid

(2S)-2-amino-3-(2-methoxy-9-phenylfluoren-9-yl)oxybutanoic acid (PubChem CID 70055882) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is (2S)-2-amino-3-(2-methoxy-9-phenylfluoren-9-yl)oxybutanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(2-methoxy-9-phenylfluoren-9-yl)oxybutanoic acid
PubChem CID70055882
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name(2S)-2-amino-3-(2-methoxy-9-phenylfluoren-9-yl)oxybutanoic acid
SMILESCOc1ccc2c(c1)C(OC(C)[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C24H23NO4/c1-15(22(25)23(26)27)29-24(16-8-4-3-5-9-16)20-11-7-6-10-18(20)19-13-12-17(28-2)14-21(19)24/h3-15,22H,25H2,1-2H3,(H,26,27)/t15?,22-,24?/m0/s1
InChIKeyQPPDDIUWIGYQBC-SDHJUTELSA-N
XLogP3.78
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-(2-phenyl-9-thiophen-2-ylfluoren-9-yl)oxybutanoic acid
CID 70052744
(2S)-2-amino-3-(2-tert-butyl-9-thiophen-2-ylfluoren-9-yl)oxybutanoic acid
CID 70055257
(2S)-2-amino-3-(9-butylfluoren-9-yl)oxybutanoic acid
CID 70055433
methyl (2S)-2-[(9-phenylfluoren-9-yl)amino]propanoate
CID 132933261
2-(5-methoxy-3,3-dimethylinden-1-yl)propanoic acid
CID 14337591
9-phenyl-9-(9-phenylfluoren-9-yl)peroxyfluorene
CID 5257445
[(E)-[(4R)-6-methoxy-4-methyl-4-phenyl-2,3-dihydronaphthalen-1-ylidene]amino]urea
CID 92856454
2,3-diamino-3-(2,4-dimethoxyphenyl)propanoic acid
CID 116942209
5-methoxy-3-methyl-3-phenyl-2-benzothiophen-1-one
CID 102475825
9,9-diphenylfluorene;methoxymethane
CID 143139467
2-[(9-phenylfluoren-9-yl)amino]propanoic acid
CID 22116668
2-amino-3-fluoro-3-(3-methoxyphenyl)propanoic acid
CID 105466535

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2-methoxy-9-phenylfluoren-9-yl)oxybutanoic acid?
The IUPAC name of (2S)-2-amino-3-(2-methoxy-9-phenylfluoren-9-yl)oxybutanoic acid (CID 70055882) is (2S)-2-amino-3-(2-methoxy-9-phenylfluoren-9-yl)oxybutanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(2-methoxy-9-phenylfluoren-9-yl)oxybutanoic acid?
The canonical SMILES for (2S)-2-amino-3-(2-methoxy-9-phenylfluoren-9-yl)oxybutanoic acid is COc1ccc2c(c1)C(OC(C)[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1-2.
What is the InChIKey of (2S)-2-amino-3-(2-methoxy-9-phenylfluoren-9-yl)oxybutanoic acid?
The InChIKey is QPPDDIUWIGYQBC-SDHJUTELSA-N. The full InChI is InChI=1S/C24H23NO4/c1-15(22(25)23(26)27)29-24(16-8-4-3-5-9-16)20-11-7-6-10-18(20)19-13-12-17(28-2)14-21(19)24/h3-15,22H,25H2,1-2H3,(H,26,27)/t15?,22-,24?/m0/s1.
What are the key properties of (2S)-2-amino-3-(2-methoxy-9-phenylfluoren-9-yl)oxybutanoic acid?
(2S)-2-amino-3-(2-methoxy-9-phenylfluoren-9-yl)oxybutanoic acid has a molecular weight of 389.45 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(2-methoxy-9-phenylfluoren-9-yl)oxybutanoic acid is sourced from PubChem (CID 70055882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).