3-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxo-3-phenylbutanoic acid

C24H21NO4 — CID 53394998

IUPAC3-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxo-3-phenylbutanoic acid
SMILESNC(CC(=O)O)(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1
InChIInChI=1S/C24H21NO4/c25-24(14-22(26)27,16-8-2-1-3-9-16)23(28)29-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21H,14-15,25H2,(H,26,27)
InChIKeyKGUHHPRYBKNVGO-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.67
Rot. Bonds6

About 3-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxo-3-phenylbutanoic acid

3-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxo-3-phenylbutanoic acid (PubChem CID 53394998) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxo-3-phenylbutanoic acid.

Molecular Properties

Compound Name3-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxo-3-phenylbutanoic acid
PubChem CID53394998
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name3-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxo-3-phenylbutanoic acid
SMILESNC(CC(=O)O)(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1
InChIInChI=1S/C24H21NO4/c25-24(14-22(26)27,16-8-2-1-3-9-16)23(28)29-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21H,14-15,25H2,(H,26,27)
InChIKeyKGUHHPRYBKNVGO-UHFFFAOYSA-N
XLogP3.67
TPSA89.62 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 ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-amino-3-(4-chlorophenyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid
CID 44593833
(3R)-3-amino-3-(3-bromophenyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid
CID 163199078
(2S)-2-(aminomethyl)-3-(9H-fluoren-9-ylmethoxy)-2-hydroxy-3-oxopropanoic acid
CID 178186306
9H-fluoren-9-ylmethyl 2-amino-2-methylpropanoate
CID 59446298
1-O-(9H-fluoren-9-ylmethyl) 3-O-prop-2-enyl 2-amino-2-(iodomethyl)propanedioate
CID 175014630
9H-fluoren-9-ylmethyl (2S)-2-amino-2-(hydroxymethyl)-3-methylbutanoate
CID 175476365
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanedioic acid
CID 56924002
(2S,3S)-2-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-3-methoxybutanoic acid
CID 56923842
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
(2S,3S,4R,5R)-2-amino-3-(9H-fluoren-9-ylmethoxycarbonyl)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 140635553

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxo-3-phenylbutanoic acid?
The IUPAC name of 3-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxo-3-phenylbutanoic acid (CID 53394998) is 3-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxo-3-phenylbutanoic acid.
What is the SMILES notation for 3-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxo-3-phenylbutanoic acid?
The canonical SMILES for 3-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxo-3-phenylbutanoic acid is NC(CC(=O)O)(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1.
What is the InChIKey of 3-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxo-3-phenylbutanoic acid?
The InChIKey is KGUHHPRYBKNVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c25-24(14-22(26)27,16-8-2-1-3-9-16)23(28)29-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21H,14-15,25H2,(H,26,27).
What are the key properties of 3-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxo-3-phenylbutanoic acid?
3-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxo-3-phenylbutanoic acid has a molecular weight of 387.44 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxo-3-phenylbutanoic acid is sourced from PubChem (CID 53394998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).