2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxoheptanoic acid

C22H23NO5 — CID 103819744

IUPAC2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxoheptanoic acid
SMILESCC(=O)CCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C22H23NO5/c1-14(24)7-6-12-20(21(25)26)23-22(27)28-13-19-17-10-4-2-8-15(17)16-9-3-5-11-18(16)19/h2-5,8-11,19-20H,6-7,12-13H2,1H3,(H,23,27)(H,25,26)
InChIKeyFRYDJRWCXWMECW-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.74
Rot. Bonds8

About 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxoheptanoic acid

2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxoheptanoic acid (PubChem CID 103819744) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxoheptanoic acid.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxoheptanoic acid
PubChem CID103819744
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxoheptanoic acid
SMILESCC(=O)CCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C22H23NO5/c1-14(24)7-6-12-20(21(25)26)23-22(27)28-13-19-17-10-4-2-8-15(17)16-9-3-5-11-18(16)19/h2-5,8-11,19-20H,6-7,12-13H2,1H3,(H,23,27)(H,25,26)
InChIKeyFRYDJRWCXWMECW-UHFFFAOYSA-N
XLogP3.74
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 2756111
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)heptanedioic acid
CID 93478024
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid
CID 171397165
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methoxypentanoic acid
CID 124508880
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)dodecanoic acid
CID 118098305
6-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 53394943
2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-methylnon-7-enoic acid
CID 171060637
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;tetramethylazanium;chloride
CID 131676595
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(methylamino)hexanoic acid;hydrochloride
CID 175987361
2-(9H-fluoren-9-ylmethoxycarbonylamino)-7-iodoheptanoic acid
CID 19604102
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5,5,5-trifluoropentanoic acid
CID 22849769
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoic acid;formamide
CID 131676586

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxoheptanoic acid?
The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxoheptanoic acid (CID 103819744) is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxoheptanoic acid.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxoheptanoic acid?
The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxoheptanoic acid is CC(=O)CCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxoheptanoic acid?
The InChIKey is FRYDJRWCXWMECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-14(24)7-6-12-20(21(25)26)23-22(27)28-13-19-17-10-4-2-8-15(17)16-9-3-5-11-18(16)19/h2-5,8-11,19-20H,6-7,12-13H2,1H3,(H,23,27)(H,25,26).
What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxoheptanoic acid?
2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxoheptanoic acid has a molecular weight of 381.43 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxoheptanoic acid is sourced from PubChem (CID 103819744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).