9H-fluoren-9-ylmethyl N-[(2R)-1-(2-fluorooxyethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate

C20H21FN2O5 — CID 129103026

IUPAC9H-fluoren-9-ylmethyl N-[(2R)-1-(2-fluorooxyethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
SMILESO=C(N[C@H](CO)C(=O)NCCOF)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H21FN2O5/c21-28-10-9-22-19(25)18(11-24)23-20(26)27-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-18,24H,9-12H2,(H,22,25)(H,23,26)/t18-/m1/s1
InChIKeyPUUBXPNVENQGAY-GOSISDBHSA-N
MW388.40 g/mol
LogP1.90
Rot. Bonds8

About 9H-fluoren-9-ylmethyl N-[(2R)-1-(2-fluorooxyethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2R)-1-(2-fluorooxyethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate (PubChem CID 129103026) has the molecular formula C20H21FN2O5 and a molecular weight of 388.40 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2R)-1-(2-fluorooxyethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2R)-1-(2-fluorooxyethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
PubChem CID129103026
Molecular FormulaC20H21FN2O5
Molecular Weight388.40 g/mol
Exact Mass388.14
IUPAC Name9H-fluoren-9-ylmethyl N-[(2R)-1-(2-fluorooxyethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
SMILESO=C(N[C@H](CO)C(=O)NCCOF)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H21FN2O5/c21-28-10-9-22-19(25)18(11-24)23-20(26)27-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-18,24H,9-12H2,(H,22,25)(H,23,26)/t18-/m1/s1
InChIKeyPUUBXPNVENQGAY-GOSISDBHSA-N
XLogP1.90
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-hydroxy-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]carbamate
CID 70833051
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(2-hydroxyethylamino)-4-oxobutanoic acid
CID 167170098
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid;hydrate
CID 70700086
9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 58841936
9H-fluoren-9-ylmethyl N-[(2S)-1-[[4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]-1-hydroxybutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 10747777
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-fluoropropanoate
CID 134850345
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 6924106
3-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]propanoic acid
CID 165447312
9H-fluoren-9-ylmethyl N-[(2R)-6-amino-1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-1-oxohexan-2-yl]carbamate
CID 176902963
9H-fluoren-9-ylmethyl N-[(2S)-1-[[5-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-1-hydroxypentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 10653164
9H-fluoren-9-ylmethyl N-(1-hydroxy-3-methoxypropan-2-yl)carbamate
CID 106182465
9H-fluoren-9-ylmethyl N-[1-[[1-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-3-hydroxypropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 10395683

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2R)-1-(2-fluorooxyethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2R)-1-(2-fluorooxyethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate (CID 129103026) is 9H-fluoren-9-ylmethyl N-[(2R)-1-(2-fluorooxyethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2R)-1-(2-fluorooxyethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2R)-1-(2-fluorooxyethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate is O=C(N[C@H](CO)C(=O)NCCOF)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2R)-1-(2-fluorooxyethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate?
The InChIKey is PUUBXPNVENQGAY-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21FN2O5/c21-28-10-9-22-19(25)18(11-24)23-20(26)27-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-18,24H,9-12H2,(H,22,25)(H,23,26)/t18-/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2R)-1-(2-fluorooxyethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(2R)-1-(2-fluorooxyethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate has a molecular weight of 388.40 g/mol, XLogP of 1.90, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(2R)-1-(2-fluorooxyethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 129103026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).