(2S)-6,6-dimethyl-5-oxo-2-[(9-phenylfluoren-9-yl)amino]heptanoic acid

C28H29NO3 — CID 11026334

IUPAC(2S)-6,6-dimethyl-5-oxo-2-[(9-phenylfluoren-9-yl)amino]heptanoic acid
SMILESCC(C)(C)C(=O)CC[C@H](NC1(c2ccccc2)c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C28H29NO3/c1-27(2,3)25(30)18-17-24(26(31)32)29-28(19-11-5-4-6-12-19)22-15-9-7-13-20(22)21-14-8-10-16-23(21)28/h4-16,24,29H,17-18H2,1-3H3,(H,31,32)/t24-/m0/s1
InChIKeySGFVTFYOXRWWAZ-DEOSSOPVSA-N
MW427.54 g/mol
LogP5.40
Rot. Bonds7

About (2S)-6,6-dimethyl-5-oxo-2-[(9-phenylfluoren-9-yl)amino]heptanoic acid

(2S)-6,6-dimethyl-5-oxo-2-[(9-phenylfluoren-9-yl)amino]heptanoic acid (PubChem CID 11026334) has the molecular formula C28H29NO3 and a molecular weight of 427.54 g/mol. Its IUPAC name is (2S)-6,6-dimethyl-5-oxo-2-[(9-phenylfluoren-9-yl)amino]heptanoic acid.

Molecular Properties

Compound Name(2S)-6,6-dimethyl-5-oxo-2-[(9-phenylfluoren-9-yl)amino]heptanoic acid
PubChem CID11026334
Molecular FormulaC28H29NO3
Molecular Weight427.54 g/mol
Exact Mass427.21
IUPAC Name(2S)-6,6-dimethyl-5-oxo-2-[(9-phenylfluoren-9-yl)amino]heptanoic acid
SMILESCC(C)(C)C(=O)CC[C@H](NC1(c2ccccc2)c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C28H29NO3/c1-27(2,3)25(30)18-17-24(26(31)32)29-28(19-11-5-4-6-12-19)22-15-9-7-13-20(22)21-14-8-10-16-23(21)28/h4-16,24,29H,17-18H2,1-3H3,(H,31,32)/t24-/m0/s1
InChIKeySGFVTFYOXRWWAZ-DEOSSOPVSA-N
XLogP5.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.54
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(9-phenylfluoren-9-yl)amino]propanoic acid
CID 9883937
(2S)-2-[(9-methoxycarbonylfluoren-9-yl)amino]-4-methylpentanoic acid
CID 54328450
methyl (2S)-3-phenyl-2-[(9-phenylfluoren-9-yl)amino]propanoate
CID 10669760
1-O-tert-butyl 5-O-methyl (2S)-2-[(9-phenylfluoren-9-yl)amino]pentanedioate
CID 11102532
(2s)-6,6-dimethyl-5-oxo-2-[N-(9-phenylfluorenyl)amino]heptanoic acid
CID 129780982
(2S)-2-(9H-fluoren-9-ylmethylamino)-3-phenylpropanoic acid
CID 176430231
1-(Benzylamino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid
CID 83066321
1-(Cyclohexylamino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid
CID 83066845
1-(Benzylamino)-5-fluoro-2,3-dihydroindene-1-carboxylic acid
CID 116531268
1-(Cyclohexylamino)-5-fluoro-2,3-dihydroindene-1-carboxylic acid
CID 116531303
(2S)-3-phenyl-2-[(5,6,7-trifluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid
CID 122037495
(2R)-3-phenyl-2-[(5,6,7-trifluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid
CID 122037747

Frequently Asked Questions

What is the IUPAC name of (2S)-6,6-dimethyl-5-oxo-2-[(9-phenylfluoren-9-yl)amino]heptanoic acid?
The IUPAC name of (2S)-6,6-dimethyl-5-oxo-2-[(9-phenylfluoren-9-yl)amino]heptanoic acid (CID 11026334) is (2S)-6,6-dimethyl-5-oxo-2-[(9-phenylfluoren-9-yl)amino]heptanoic acid.
What is the SMILES notation for (2S)-6,6-dimethyl-5-oxo-2-[(9-phenylfluoren-9-yl)amino]heptanoic acid?
The canonical SMILES for (2S)-6,6-dimethyl-5-oxo-2-[(9-phenylfluoren-9-yl)amino]heptanoic acid is CC(C)(C)C(=O)CC[C@H](NC1(c2ccccc2)c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of (2S)-6,6-dimethyl-5-oxo-2-[(9-phenylfluoren-9-yl)amino]heptanoic acid?
The InChIKey is SGFVTFYOXRWWAZ-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H29NO3/c1-27(2,3)25(30)18-17-24(26(31)32)29-28(19-11-5-4-6-12-19)22-15-9-7-13-20(22)21-14-8-10-16-23(21)28/h4-16,24,29H,17-18H2,1-3H3,(H,31,32)/t24-/m0/s1.
What are the key properties of (2S)-6,6-dimethyl-5-oxo-2-[(9-phenylfluoren-9-yl)amino]heptanoic acid?
(2S)-6,6-dimethyl-5-oxo-2-[(9-phenylfluoren-9-yl)amino]heptanoic acid has a molecular weight of 427.54 g/mol, XLogP of 5.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6,6-dimethyl-5-oxo-2-[(9-phenylfluoren-9-yl)amino]heptanoic acid is sourced from PubChem (CID 11026334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).