9H-fluoren-9-ylmethyl N-[(2S)-1-cyano-3-oxopropan-2-yl]carbamate

C19H16N2O3 — CID 20639917

IUPAC9H-fluoren-9-ylmethyl N-[(2S)-1-cyano-3-oxopropan-2-yl]carbamate
SMILESN#CC[C@@H](C=O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H16N2O3/c20-10-9-13(11-22)21-19(23)24-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,11,13,18H,9,12H2,(H,21,23)/t13-/m0/s1
InChIKeyCMXIVVKTNYGNAW-ZDUSSCGKSA-N
MW320.35 g/mol
LogP3.01
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[(2S)-1-cyano-3-oxopropan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2S)-1-cyano-3-oxopropan-2-yl]carbamate (PubChem CID 20639917) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2S)-1-cyano-3-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2S)-1-cyano-3-oxopropan-2-yl]carbamate
PubChem CID20639917
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name9H-fluoren-9-ylmethyl N-[(2S)-1-cyano-3-oxopropan-2-yl]carbamate
SMILESN#CC[C@@H](C=O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H16N2O3/c20-10-9-13(11-22)21-19(23)24-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,11,13,18H,9,12H2,(H,21,23)/t13-/m0/s1
InChIKeyCMXIVVKTNYGNAW-ZDUSSCGKSA-N
XLogP3.01
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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9H-fluoren-9-ylmethyl N-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
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9H-fluoren-9-ylmethyl N-(1-oxo-3-tritylsulfanylpropan-2-yl)carbamate
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tert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate
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9H-fluoren-9-ylmethyl N-(3-hydroxy-1-oxobutan-2-yl)carbamate
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3-(cyanomethylsulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
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9H-fluoren-9-ylmethyl N-[(2S)-4-oxo-1-phenylbut-3-en-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-1-cyano-3-oxopropan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-1-cyano-3-oxopropan-2-yl]carbamate (CID 20639917) is 9H-fluoren-9-ylmethyl N-[(2S)-1-cyano-3-oxopropan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2S)-1-cyano-3-oxopropan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2S)-1-cyano-3-oxopropan-2-yl]carbamate is N#CC[C@@H](C=O)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2S)-1-cyano-3-oxopropan-2-yl]carbamate?
The InChIKey is CMXIVVKTNYGNAW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H16N2O3/c20-10-9-13(11-22)21-19(23)24-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,11,13,18H,9,12H2,(H,21,23)/t13-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2S)-1-cyano-3-oxopropan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(2S)-1-cyano-3-oxopropan-2-yl]carbamate has a molecular weight of 320.35 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(2S)-1-cyano-3-oxopropan-2-yl]carbamate is sourced from PubChem (CID 20639917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).