(6R)-6-amino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid

C21H23NO4 — CID 96559700

IUPAC(6R)-6-amino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid
SMILESN[C@H](CCCCC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H23NO4/c22-19(11-5-6-12-20(23)24)21(25)26-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13,22H2,(H,23,24)/t19-/m1/s1
InChIKeyUJUWBWQRBQCYLG-LJQANCHMSA-N
MW353.42 g/mol
LogP3.31
Rot. Bonds8

About (6R)-6-amino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid

(6R)-6-amino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid (PubChem CID 96559700) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is (6R)-6-amino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid.

Molecular Properties

Compound Name(6R)-6-amino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid
PubChem CID96559700
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name(6R)-6-amino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid
SMILESN[C@H](CCCCC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H23NO4/c22-19(11-5-6-12-20(23)24)21(25)26-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13,22H2,(H,23,24)/t19-/m1/s1
InChIKeyUJUWBWQRBQCYLG-LJQANCHMSA-N
XLogP3.31
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,6-diamino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid
CID 74001834
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)heptanedioic acid
CID 93478024
bis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate
CID 11511488
22-(9H-fluoren-9-ylmethoxy)-8,15,22-trioxodocosanoic acid
CID 149410071
6-amino-7-[(2-chlorophenyl)methoxy]-7-oxoheptanoic acid
CID 57274050
methyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 71250242
5-(9H-fluoren-9-ylmethoxycarbonylamino)-5-phenylpentanoic acid
CID 165476001
(4S)-4-amino-8-(9H-fluoren-9-ylmethoxy)-6-methyl-8-oxooctanoic acid
CID 75493019
2-(9H-fluoren-9-ylmethoxycarbonyl)heptanoic acid
CID 163288654
10-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)decanoic acid
CID 141018797
9H-fluoren-9-ylmethyl 7-methyloctanoate
CID 167509149
(2S)-12-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)dodecanoic acid
CID 97114140

Frequently Asked Questions

What is the IUPAC name of (6R)-6-amino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid?
The IUPAC name of (6R)-6-amino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid (CID 96559700) is (6R)-6-amino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid.
What is the SMILES notation for (6R)-6-amino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid?
The canonical SMILES for (6R)-6-amino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid is N[C@H](CCCCC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (6R)-6-amino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid?
The InChIKey is UJUWBWQRBQCYLG-LJQANCHMSA-N. The full InChI is InChI=1S/C21H23NO4/c22-19(11-5-6-12-20(23)24)21(25)26-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13,22H2,(H,23,24)/t19-/m1/s1.
What are the key properties of (6R)-6-amino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid?
(6R)-6-amino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid has a molecular weight of 353.42 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-amino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid is sourced from PubChem (CID 96559700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).