(4S)-4-amino-8-(9H-fluoren-9-ylmethoxy)-6-methyl-8-oxooctanoic acid

C23H27NO4 — CID 75493019

IUPAC(4S)-4-amino-8-(9H-fluoren-9-ylmethoxy)-6-methyl-8-oxooctanoic acid
SMILESCC(CC(=O)OCC1c2ccccc2-c2ccccc21)C[C@@H](N)CCC(=O)O
InChIInChI=1S/C23H27NO4/c1-15(12-16(24)10-11-22(25)26)13-23(27)28-14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,15-16,21H,10-14,24H2,1H3,(H,25,26)/t15?,16-/m0/s1
InChIKeyLYSYCJYHXQLCNW-LYKKTTPLSA-N
MW381.47 g/mol
LogP3.95
Rot. Bonds9

About (4S)-4-amino-8-(9H-fluoren-9-ylmethoxy)-6-methyl-8-oxooctanoic acid

(4S)-4-amino-8-(9H-fluoren-9-ylmethoxy)-6-methyl-8-oxooctanoic acid (PubChem CID 75493019) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is (4S)-4-amino-8-(9H-fluoren-9-ylmethoxy)-6-methyl-8-oxooctanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-8-(9H-fluoren-9-ylmethoxy)-6-methyl-8-oxooctanoic acid
PubChem CID75493019
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name(4S)-4-amino-8-(9H-fluoren-9-ylmethoxy)-6-methyl-8-oxooctanoic acid
SMILESCC(CC(=O)OCC1c2ccccc2-c2ccccc21)C[C@@H](N)CCC(=O)O
InChIInChI=1S/C23H27NO4/c1-15(12-16(24)10-11-22(25)26)13-23(27)28-14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,15-16,21H,10-14,24H2,1H3,(H,25,26)/t15?,16-/m0/s1
InChIKeyLYSYCJYHXQLCNW-LYKKTTPLSA-N
XLogP3.95
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4S)-4-amino-8-(9H-fluoren-9-ylmethoxy)-6-methyl-8-oxooctanoic acid with MolForge

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Related Compounds

2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid
CID 14559129
2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-4-methylpentanoic acid
CID 58273355
(6R)-6-amino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid
CID 96559700
(2R)-4-(9H-fluoren-9-ylmethoxy)-4-oxo-2-propan-2-ylbutanoic acid
CID 159963663
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
(4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid
CID 17040097
(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 67333230
bis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate
CID 11511488
9H-fluoren-9-ylmethyl 7-methyloctanoate
CID 167509149
(2S)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-3-methylpentanoic acid
CID 149470928
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(9H-fluoren-9-ylmethoxy)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 175828147
22-(9H-fluoren-9-ylmethoxy)-8,15,22-trioxodocosanoic acid
CID 149410071

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-8-(9H-fluoren-9-ylmethoxy)-6-methyl-8-oxooctanoic acid?
The IUPAC name of (4S)-4-amino-8-(9H-fluoren-9-ylmethoxy)-6-methyl-8-oxooctanoic acid (CID 75493019) is (4S)-4-amino-8-(9H-fluoren-9-ylmethoxy)-6-methyl-8-oxooctanoic acid.
What is the SMILES notation for (4S)-4-amino-8-(9H-fluoren-9-ylmethoxy)-6-methyl-8-oxooctanoic acid?
The canonical SMILES for (4S)-4-amino-8-(9H-fluoren-9-ylmethoxy)-6-methyl-8-oxooctanoic acid is CC(CC(=O)OCC1c2ccccc2-c2ccccc21)C[C@@H](N)CCC(=O)O.
What is the InChIKey of (4S)-4-amino-8-(9H-fluoren-9-ylmethoxy)-6-methyl-8-oxooctanoic acid?
The InChIKey is LYSYCJYHXQLCNW-LYKKTTPLSA-N. The full InChI is InChI=1S/C23H27NO4/c1-15(12-16(24)10-11-22(25)26)13-23(27)28-14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,15-16,21H,10-14,24H2,1H3,(H,25,26)/t15?,16-/m0/s1.
What are the key properties of (4S)-4-amino-8-(9H-fluoren-9-ylmethoxy)-6-methyl-8-oxooctanoic acid?
(4S)-4-amino-8-(9H-fluoren-9-ylmethoxy)-6-methyl-8-oxooctanoic acid has a molecular weight of 381.47 g/mol, XLogP of 3.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-8-(9H-fluoren-9-ylmethoxy)-6-methyl-8-oxooctanoic acid is sourced from PubChem (CID 75493019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).