9H-fluoren-9-ylmethyl N-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]carbamate

C20H21NO3S — CID 71311549

IUPAC9H-fluoren-9-ylmethyl N-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
SMILESCSCC[C@H](C=O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H21NO3S/c1-25-11-10-14(12-22)21-20(23)24-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,12,14,19H,10-11,13H2,1H3,(H,21,23)/t14-/m1/s1
InChIKeyXCABZTKGNAMBJK-CQSZACIVSA-N
MW355.46 g/mol
LogP3.85
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]carbamate (PubChem CID 71311549) has the molecular formula C20H21NO3S and a molecular weight of 355.46 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
PubChem CID71311549
Molecular FormulaC20H21NO3S
Molecular Weight355.46 g/mol
Exact Mass355.12
IUPAC Name9H-fluoren-9-ylmethyl N-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
SMILESCSCC[C@H](C=O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H21NO3S/c1-25-11-10-14(12-22)21-20(23)24-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,12,14,19H,10-11,13H2,1H3,(H,21,23)/t14-/m1/s1
InChIKeyXCABZTKGNAMBJK-CQSZACIVSA-N
XLogP3.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.85
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

9H-fluoren-9-ylmethyl N-[(2R)-6-amino-1-oxohexan-2-yl]carbamate
CID 124582995
tert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate
CID 85251388
9H-fluoren-9-ylmethyl N-[(2R)-1-oxopent-4-yn-2-yl]carbamate
CID 89011784
4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-6-methylsulfanylhexanoic acid
CID 4712557
9H-fluoren-9-ylmethyl N-[(2S)-1-cyano-3-oxopropan-2-yl]carbamate
CID 20639917
(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylsulfanylbutanoyl]amino]propanoic acid
CID 23249730
9H-fluoren-9-ylmethyl N-[(2R)-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate
CID 53230059
9H-fluoren-9-ylmethyl N-(1-oxo-3-tritylsulfanylpropan-2-yl)carbamate
CID 75982876
9H-fluoren-9-ylmethyl N-(3-hydroxy-1-oxobutan-2-yl)carbamate
CID 172641441
9H-fluoren-9-ylmethyl N-[(3S)-1-iodopent-1-en-3-yl]carbamate
CID 123810740
(2S)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoyl]amino]-4-methylsulfanylbutanoic acid
CID 165485681
3-[benzyl-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylsulfanylbutanoyl]amino]propanoic acid
CID 165457398

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]carbamate (CID 71311549) is 9H-fluoren-9-ylmethyl N-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]carbamate is CSCC[C@H](C=O)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]carbamate?
The InChIKey is XCABZTKGNAMBJK-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21NO3S/c1-25-11-10-14(12-22)21-20(23)24-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,12,14,19H,10-11,13H2,1H3,(H,21,23)/t14-/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]carbamate has a molecular weight of 355.46 g/mol, XLogP of 3.85, 7 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-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 71311549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).