(2S)-2,6-diamino-7-(9H-fluoren-9-yl)-7-oxoheptanoic acid

C20H22N2O3 — CID 154512330

IUPAC(2S)-2,6-diamino-7-(9H-fluoren-9-yl)-7-oxoheptanoic acid
SMILESNC(CCC[C@H](N)C(=O)O)C(=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H22N2O3/c21-16(10-5-11-17(22)20(24)25)19(23)18-14-8-3-1-6-12(14)13-7-2-4-9-15(13)18/h1-4,6-9,16-18H,5,10-11,21-22H2,(H,24,25)/t16?,17-/m0/s1
InChIKeyMUYSEVOYCFYPCC-DJNXLDHESA-N
MW338.41 g/mol
LogP2.28
Rot. Bonds7

About (2S)-2,6-diamino-7-(9H-fluoren-9-yl)-7-oxoheptanoic acid

(2S)-2,6-diamino-7-(9H-fluoren-9-yl)-7-oxoheptanoic acid (PubChem CID 154512330) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2S)-2,6-diamino-7-(9H-fluoren-9-yl)-7-oxoheptanoic acid.

Molecular Properties

Compound Name(2S)-2,6-diamino-7-(9H-fluoren-9-yl)-7-oxoheptanoic acid
PubChem CID154512330
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(2S)-2,6-diamino-7-(9H-fluoren-9-yl)-7-oxoheptanoic acid
SMILESNC(CCC[C@H](N)C(=O)O)C(=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H22N2O3/c21-16(10-5-11-17(22)20(24)25)19(23)18-14-8-3-1-6-12(14)13-7-2-4-9-15(13)18/h1-4,6-9,16-18H,5,10-11,21-22H2,(H,24,25)/t16?,17-/m0/s1
InChIKeyMUYSEVOYCFYPCC-DJNXLDHESA-N
XLogP2.28
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-diamino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid
CID 74001834
2-amino-4-methylsulfanylbutanoic acid;9H-fluorene-9-carboxylic acid
CID 175237990
(2S)-2-amino-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 7019764
2,6-diaminoheptanedioic acid
CID 865
(2S,5S)-2-amino-6-(9H-fluoren-9-ylmethoxy)-6-oxo-5-phenylhexanoic acid
CID 95171223
2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid
CID 14559129
(6S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoic acid
CID 70487944
(2R)-2-amino-5-benzoyloxypentanoic acid
CID 96559711
(2S)-2-amino-5-[[amino-(9H-fluoren-9-ylmethoxycarbonylamino)methylidene]amino]pentanoic acid
CID 40555331
(6R)-6-amino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid
CID 96559700
(2R)-2-amino-6-oxo-6-phenylhexanoic acid
CID 106702793
2-amino-7-phenylheptanoic acid
CID 85132413

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diamino-7-(9H-fluoren-9-yl)-7-oxoheptanoic acid?
The IUPAC name of (2S)-2,6-diamino-7-(9H-fluoren-9-yl)-7-oxoheptanoic acid (CID 154512330) is (2S)-2,6-diamino-7-(9H-fluoren-9-yl)-7-oxoheptanoic acid.
What is the SMILES notation for (2S)-2,6-diamino-7-(9H-fluoren-9-yl)-7-oxoheptanoic acid?
The canonical SMILES for (2S)-2,6-diamino-7-(9H-fluoren-9-yl)-7-oxoheptanoic acid is NC(CCC[C@H](N)C(=O)O)C(=O)C1c2ccccc2-c2ccccc21.
What is the InChIKey of (2S)-2,6-diamino-7-(9H-fluoren-9-yl)-7-oxoheptanoic acid?
The InChIKey is MUYSEVOYCFYPCC-DJNXLDHESA-N. The full InChI is InChI=1S/C20H22N2O3/c21-16(10-5-11-17(22)20(24)25)19(23)18-14-8-3-1-6-12(14)13-7-2-4-9-15(13)18/h1-4,6-9,16-18H,5,10-11,21-22H2,(H,24,25)/t16?,17-/m0/s1.
What are the key properties of (2S)-2,6-diamino-7-(9H-fluoren-9-yl)-7-oxoheptanoic acid?
(2S)-2,6-diamino-7-(9H-fluoren-9-yl)-7-oxoheptanoic acid has a molecular weight of 338.41 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diamino-7-(9H-fluoren-9-yl)-7-oxoheptanoic acid is sourced from PubChem (CID 154512330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).