(2S,5S)-2-amino-6-(9H-fluoren-9-ylmethoxy)-6-oxo-5-phenylhexanoic acid

C26H25NO4 — CID 95171223

IUPAC(2S,5S)-2-amino-6-(9H-fluoren-9-ylmethoxy)-6-oxo-5-phenylhexanoic acid
SMILESN[C@@H](CC[C@H](C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1)C(=O)O
InChIInChI=1S/C26H25NO4/c27-24(25(28)29)15-14-18(17-8-2-1-3-9-17)26(30)31-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,18,23-24H,14-16,27H2,(H,28,29)/t18-,24-/m0/s1
InChIKeyYHBRUGGVNXQMKE-UUOWRZLLSA-N
MW415.49 g/mol
LogP4.32
Rot. Bonds8

About (2S,5S)-2-amino-6-(9H-fluoren-9-ylmethoxy)-6-oxo-5-phenylhexanoic acid

(2S,5S)-2-amino-6-(9H-fluoren-9-ylmethoxy)-6-oxo-5-phenylhexanoic acid (PubChem CID 95171223) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is (2S,5S)-2-amino-6-(9H-fluoren-9-ylmethoxy)-6-oxo-5-phenylhexanoic acid.

Molecular Properties

Compound Name(2S,5S)-2-amino-6-(9H-fluoren-9-ylmethoxy)-6-oxo-5-phenylhexanoic acid
PubChem CID95171223
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC Name(2S,5S)-2-amino-6-(9H-fluoren-9-ylmethoxy)-6-oxo-5-phenylhexanoic acid
SMILESN[C@@H](CC[C@H](C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1)C(=O)O
InChIInChI=1S/C26H25NO4/c27-24(25(28)29)15-14-18(17-8-2-1-3-9-17)26(30)31-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,18,23-24H,14-16,27H2,(H,28,29)/t18-,24-/m0/s1
InChIKeyYHBRUGGVNXQMKE-UUOWRZLLSA-N
XLogP4.32
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.32
H-Bond Donors ≤ 52
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-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid
CID 14559129
(2R)-2-[amino(phenyl)methyl]-3-(9H-fluoren-9-ylmethoxy)-3-oxopropanoic acid
CID 57371029
(2S)-2-amino-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 7019764
bis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate
CID 11511488
(6R)-6-amino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid
CID 96559700
(2R,3R)-3-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)pentanoic acid
CID 97114151
9H-fluoren-9-ylmethyl 2-formyloxy-2-phenylacetate
CID 54093307
2-amino-4-[9H-fluoren-9-ylmethoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
CID 91199963
9H-fluoren-9-ylmethyl 2-amino-3-methylbutanoate
CID 4038449
(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

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-amino-6-(9H-fluoren-9-ylmethoxy)-6-oxo-5-phenylhexanoic acid?
The IUPAC name of (2S,5S)-2-amino-6-(9H-fluoren-9-ylmethoxy)-6-oxo-5-phenylhexanoic acid (CID 95171223) is (2S,5S)-2-amino-6-(9H-fluoren-9-ylmethoxy)-6-oxo-5-phenylhexanoic acid.
What is the SMILES notation for (2S,5S)-2-amino-6-(9H-fluoren-9-ylmethoxy)-6-oxo-5-phenylhexanoic acid?
The canonical SMILES for (2S,5S)-2-amino-6-(9H-fluoren-9-ylmethoxy)-6-oxo-5-phenylhexanoic acid is N[C@@H](CC[C@H](C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1)C(=O)O.
What is the InChIKey of (2S,5S)-2-amino-6-(9H-fluoren-9-ylmethoxy)-6-oxo-5-phenylhexanoic acid?
The InChIKey is YHBRUGGVNXQMKE-UUOWRZLLSA-N. The full InChI is InChI=1S/C26H25NO4/c27-24(25(28)29)15-14-18(17-8-2-1-3-9-17)26(30)31-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,18,23-24H,14-16,27H2,(H,28,29)/t18-,24-/m0/s1.
What are the key properties of (2S,5S)-2-amino-6-(9H-fluoren-9-ylmethoxy)-6-oxo-5-phenylhexanoic acid?
(2S,5S)-2-amino-6-(9H-fluoren-9-ylmethoxy)-6-oxo-5-phenylhexanoic acid has a molecular weight of 415.49 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-amino-6-(9H-fluoren-9-ylmethoxy)-6-oxo-5-phenylhexanoic acid is sourced from PubChem (CID 95171223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).