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

C21H24N2O4 — CID 74001834

IUPAC2,6-diamino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid
SMILESNC(CCCC(N)C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C21H24N2O4/c22-18(20(24)25)10-5-11-19(23)21(26)27-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-19H,5,10-12,22-23H2,(H,24,25)
InChIKeyJXGYPHBCPYMHSR-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.25
Rot. Bonds8

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

2,6-diamino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid (PubChem CID 74001834) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2,6-diamino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid.

Molecular Properties

Compound Name2,6-diamino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid
PubChem CID74001834
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2,6-diamino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid
SMILESNC(CCCC(N)C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C21H24N2O4/c22-18(20(24)25)10-5-11-19(23)21(26)27-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-19H,5,10-12,22-23H2,(H,24,25)
InChIKeyJXGYPHBCPYMHSR-UHFFFAOYSA-N
XLogP2.25
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-6-amino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid
CID 96559700
(2S)-2-amino-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 7019764
(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
(2S)-2,6-diamino-7-(9H-fluoren-9-yl)-7-oxoheptanoic acid
CID 154512330
bis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate
CID 11511488
(2S)-2-amino-5-[[amino-(9H-fluoren-9-ylmethoxycarbonylamino)methylidene]amino]pentanoic acid
CID 40555331
10-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)decanoic acid
CID 141018797
2-(9H-fluoren-9-ylmethoxycarbonyl)heptanoic acid
CID 163288654
(2S)-12-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)dodecanoic acid
CID 97114140
(2R,3R)-3-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)pentanoic acid
CID 97114151
(2R)-2-[amino(phenyl)methyl]-3-(9H-fluoren-9-ylmethoxy)-3-oxopropanoic acid
CID 57371029

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid?
The IUPAC name of 2,6-diamino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid (CID 74001834) is 2,6-diamino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid.
What is the SMILES notation for 2,6-diamino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid?
The canonical SMILES for 2,6-diamino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid is NC(CCCC(N)C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of 2,6-diamino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid?
The InChIKey is JXGYPHBCPYMHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c22-18(20(24)25)10-5-11-19(23)21(26)27-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-19H,5,10-12,22-23H2,(H,24,25).
What are the key properties of 2,6-diamino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid?
2,6-diamino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid has a molecular weight of 368.43 g/mol, XLogP of 2.25, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid is sourced from PubChem (CID 74001834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).