9H-fluoren-9-ylmethyl (2R)-2-amino-4-[[(2S)-oxan-2-yl]oxyamino]-4-oxobutanoate

C23H26N2O5 — CID 97106758

IUPAC9H-fluoren-9-ylmethyl (2R)-2-amino-4-[[(2S)-oxan-2-yl]oxyamino]-4-oxobutanoate
SMILESN[C@H](CC(=O)NO[C@H]1CCCCO1)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H26N2O5/c24-20(13-21(26)25-30-22-11-5-6-12-28-22)23(27)29-14-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10,19-20,22H,5-6,11-14,24H2,(H,25,26)/t20-,22+/m1/s1
InChIKeySBLMKIJYZZPZJY-IRLDBZIGSA-N
MW410.47 g/mol
LogP2.63
Rot. Bonds7

About 9H-fluoren-9-ylmethyl (2R)-2-amino-4-[[(2S)-oxan-2-yl]oxyamino]-4-oxobutanoate

9H-fluoren-9-ylmethyl (2R)-2-amino-4-[[(2S)-oxan-2-yl]oxyamino]-4-oxobutanoate (PubChem CID 97106758) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (2R)-2-amino-4-[[(2S)-oxan-2-yl]oxyamino]-4-oxobutanoate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (2R)-2-amino-4-[[(2S)-oxan-2-yl]oxyamino]-4-oxobutanoate
PubChem CID97106758
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name9H-fluoren-9-ylmethyl (2R)-2-amino-4-[[(2S)-oxan-2-yl]oxyamino]-4-oxobutanoate
SMILESN[C@H](CC(=O)NO[C@H]1CCCCO1)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H26N2O5/c24-20(13-21(26)25-30-22-11-5-6-12-28-22)23(27)29-14-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10,19-20,22H,5-6,11-14,24H2,(H,25,26)/t20-,22+/m1/s1
InChIKeySBLMKIJYZZPZJY-IRLDBZIGSA-N
XLogP2.63
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl 4-[5-(oxan-2-yloxycarbamoyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 58896211
bis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate
CID 11511488
9H-fluoren-9-ylmethyl oxane-2-carboxylate
CID 175742330
9H-fluoren-9-ylmethyl (7S)-7-(5-bromothiophen-2-yl)-7-[2-(oxan-2-yloxyamino)-2-oxoethyl]-1,1-dioxo-1,4-thiazepane-4-carboxylate
CID 23401999
9H-fluoren-9-ylmethoxycarbonyl (2S)-2-amino-4-oxo-4-(tritylamino)butanoate
CID 22873843
2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[3-methoxy-4-(oxan-2-yloxycarbamoyl)phenyl]butanoic acid
CID 155695418
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-methyl-2-(oxan-2-yloxy)propoxy]propanoic acid
CID 146471565
3-[(1-methyl-2,3-dihydroindol-3-yl)methylamino]-N-(oxan-2-yloxy)propanamide
CID 58703332
9H-fluoren-9-ylmethyl 4-[5-(oxan-2-yloxycarbamoyl)-2-pyridinyl]piperazine-1-carboxylate;iodomethane;N-(oxan-2-yloxy)-6-piperazin-1-ylpyridine-3-carboxamide
CID 161006039
benzyl (3S)-3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-4-(oxan-2-yloxy)hexanoate
CID 58625771
2-(9H-fluoren-9-yl)ethyl-[1-[4-(oxan-2-yloxycarbamoyl)phenyl]propyl]carbamic acid
CID 87384800
oxan-2-yl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(3S)-3-(oxan-2-yloxy)butoxy]propanoate
CID 156903462

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (2R)-2-amino-4-[[(2S)-oxan-2-yl]oxyamino]-4-oxobutanoate?
The IUPAC name of 9H-fluoren-9-ylmethyl (2R)-2-amino-4-[[(2S)-oxan-2-yl]oxyamino]-4-oxobutanoate (CID 97106758) is 9H-fluoren-9-ylmethyl (2R)-2-amino-4-[[(2S)-oxan-2-yl]oxyamino]-4-oxobutanoate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (2R)-2-amino-4-[[(2S)-oxan-2-yl]oxyamino]-4-oxobutanoate?
The canonical SMILES for 9H-fluoren-9-ylmethyl (2R)-2-amino-4-[[(2S)-oxan-2-yl]oxyamino]-4-oxobutanoate is N[C@H](CC(=O)NO[C@H]1CCCCO1)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl (2R)-2-amino-4-[[(2S)-oxan-2-yl]oxyamino]-4-oxobutanoate?
The InChIKey is SBLMKIJYZZPZJY-IRLDBZIGSA-N. The full InChI is InChI=1S/C23H26N2O5/c24-20(13-21(26)25-30-22-11-5-6-12-28-22)23(27)29-14-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10,19-20,22H,5-6,11-14,24H2,(H,25,26)/t20-,22+/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl (2R)-2-amino-4-[[(2S)-oxan-2-yl]oxyamino]-4-oxobutanoate?
9H-fluoren-9-ylmethyl (2R)-2-amino-4-[[(2S)-oxan-2-yl]oxyamino]-4-oxobutanoate has a molecular weight of 410.47 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl (2R)-2-amino-4-[[(2S)-oxan-2-yl]oxyamino]-4-oxobutanoate is sourced from PubChem (CID 97106758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).