9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate

C18H19NO3 — CID 6924106

IUPAC9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
SMILESC[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H19NO3/c1-12(10-20)19-18(21)22-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17,20H,10-11H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyGIZCEJUGNDJXMH-LBPRGKRZSA-N
MW297.35 g/mol
LogP2.91
Rot. Bonds4

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

9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate (PubChem CID 6924106) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
PubChem CID6924106
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
SMILESC[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H19NO3/c1-12(10-20)19-18(21)22-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17,20H,10-11H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyGIZCEJUGNDJXMH-LBPRGKRZSA-N
XLogP2.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 101460179
9H-fluoren-9-ylmethyl N-[(2R)-pentan-2-yl]carbamate
CID 142703958
9H-fluoren-9-ylmethyl N-(1-sulfanylpropan-2-yl)carbamate
CID 20732098
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911
9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate
CID 118461270
9H-fluoren-9-ylmethyl N-(1-amino-1-oxopropan-2-yl)carbamate
CID 22905931
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamate
CID 57368211
9H-fluoren-9-ylmethyl N-(4-hydroxy-3-methylsulfanylbutan-2-yl)carbamate
CID 106156061
9H-fluoren-9-ylmethyl N-(3-hydroxy-2-methylpropyl)carbamate
CID 53397686
9H-fluoren-9-ylmethyl N-(1-hydroxy-3-methoxypropan-2-yl)carbamate
CID 106182465
methyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoate
CID 23541145

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate (CID 6924106) is 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate is C[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate?
The InChIKey is GIZCEJUGNDJXMH-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19NO3/c1-12(10-20)19-18(21)22-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17,20H,10-11H2,1H3,(H,19,21)/t12-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate has a molecular weight of 297.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate is sourced from PubChem (CID 6924106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).