(2S)-2-amino-3-(9-butylfluoren-9-yl)oxybutanoic acid

C21H25NO3 — CID 70055433

IUPAC(2S)-2-amino-3-(9-butylfluoren-9-yl)oxybutanoic acid
SMILESCCCCC1(OC(C)[C@H](N)C(=O)O)c2ccccc2-c2ccccc21
InChIInChI=1S/C21H25NO3/c1-3-4-13-21(25-14(2)19(22)20(23)24)17-11-7-5-9-15(17)16-10-6-8-12-18(16)21/h5-12,14,19H,3-4,13,22H2,1-2H3,(H,23,24)/t14?,19-/m0/s1
InChIKeyFLXVFOKPWHFYSB-PKDNWHCCSA-N
MW339.44 g/mol
LogP3.92
Rot. Bonds7

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

(2S)-2-amino-3-(9-butylfluoren-9-yl)oxybutanoic acid (PubChem CID 70055433) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is (2S)-2-amino-3-(9-butylfluoren-9-yl)oxybutanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(9-butylfluoren-9-yl)oxybutanoic acid
PubChem CID70055433
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name(2S)-2-amino-3-(9-butylfluoren-9-yl)oxybutanoic acid
SMILESCCCCC1(OC(C)[C@H](N)C(=O)O)c2ccccc2-c2ccccc21
InChIInChI=1S/C21H25NO3/c1-3-4-13-21(25-14(2)19(22)20(23)24)17-11-7-5-9-15(17)16-10-6-8-12-18(16)21/h5-12,14,19H,3-4,13,22H2,1-2H3,(H,23,24)/t14?,19-/m0/s1
InChIKeyFLXVFOKPWHFYSB-PKDNWHCCSA-N
XLogP3.92
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]oxybutanoic acid
CID 54481020
(2S)-2-amino-3-(2-methoxy-9-phenylfluoren-9-yl)oxybutanoic acid
CID 70055882
(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,3R)-2-amino-3-[9-(3-cyclopentylthiophen-2-yl)fluoren-9-yl]oxybutanoic acid
CID 54236446
dipentyl fluorene-9,9-dicarboxylate
CID 126715860
butyl 2-[9-(1-butoxy-1-oxopentan-2-yl)fluoren-9-yl]pentanoate
CID 141442960
2-amino-3-phenylmethoxybutanoic acid;hydrochloride
CID 53434211
[9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate
CID 59476823
butyl 9-hydroxyfluorene-9-carboxylate;silver
CID 122424754
[9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate
CID 59476842
[9-(2-methylpropanoyloxymethyl)fluoren-9-yl]methyl 2-methylpropanoate
CID 126613610

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(9-butylfluoren-9-yl)oxybutanoic acid?
The IUPAC name of (2S)-2-amino-3-(9-butylfluoren-9-yl)oxybutanoic acid (CID 70055433) is (2S)-2-amino-3-(9-butylfluoren-9-yl)oxybutanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(9-butylfluoren-9-yl)oxybutanoic acid?
The canonical SMILES for (2S)-2-amino-3-(9-butylfluoren-9-yl)oxybutanoic acid is CCCCC1(OC(C)[C@H](N)C(=O)O)c2ccccc2-c2ccccc21.
What is the InChIKey of (2S)-2-amino-3-(9-butylfluoren-9-yl)oxybutanoic acid?
The InChIKey is FLXVFOKPWHFYSB-PKDNWHCCSA-N. The full InChI is InChI=1S/C21H25NO3/c1-3-4-13-21(25-14(2)19(22)20(23)24)17-11-7-5-9-15(17)16-10-6-8-12-18(16)21/h5-12,14,19H,3-4,13,22H2,1-2H3,(H,23,24)/t14?,19-/m0/s1.
What are the key properties of (2S)-2-amino-3-(9-butylfluoren-9-yl)oxybutanoic acid?
(2S)-2-amino-3-(9-butylfluoren-9-yl)oxybutanoic acid has a molecular weight of 339.44 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(9-butylfluoren-9-yl)oxybutanoic acid is sourced from PubChem (CID 70055433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).