9H-fluoren-9-ylmethyl N-[(2R,3R)-2-methyl-4-oxooxolan-3-yl]carbamate

C20H19NO4 — CID 57457757

IUPAC9H-fluoren-9-ylmethyl N-[(2R,3R)-2-methyl-4-oxooxolan-3-yl]carbamate
SMILESC[C@H]1OCC(=O)[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H19NO4/c1-12-19(18(22)11-24-12)21-20(23)25-10-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17,19H,10-11H2,1H3,(H,21,23)/t12-,19-/m1/s1
InChIKeyDEXXJHNWQYMDSZ-CWTRNNRKSA-N
MW337.38 g/mol
LogP2.88
Rot. Bonds3

About 9H-fluoren-9-ylmethyl N-[(2R,3R)-2-methyl-4-oxooxolan-3-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2R,3R)-2-methyl-4-oxooxolan-3-yl]carbamate (PubChem CID 57457757) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2R,3R)-2-methyl-4-oxooxolan-3-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2R,3R)-2-methyl-4-oxooxolan-3-yl]carbamate
PubChem CID57457757
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name9H-fluoren-9-ylmethyl N-[(2R,3R)-2-methyl-4-oxooxolan-3-yl]carbamate
SMILESC[C@H]1OCC(=O)[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H19NO4/c1-12-19(18(22)11-24-12)21-20(23)25-10-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17,19H,10-11H2,1H3,(H,21,23)/t12-,19-/m1/s1
InChIKeyDEXXJHNWQYMDSZ-CWTRNNRKSA-N
XLogP2.88
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]carbamate;sulfane
CID 157093133
9H-fluoren-9-ylmethyl N-[(3R,4S)-4-hydroxyoxolan-3-yl]carbamate
CID 130689635
9H-fluoren-9-ylmethyl N-[(3S)-2-oxooxetan-3-yl]carbamate
CID 11130659
9H-fluoren-9-ylmethyl N-(2-methylcyclohexyl)carbamate
CID 70659072
9H-fluoren-9-ylmethyl N-(oxolan-3-yl)carbamate
CID 166803824
9H-fluoren-9-ylmethyl N-[(3R)-2,5-dioxooxolan-3-yl]carbamate
CID 102482315
4-[5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-1,3-dioxan-2-yl]benzoic acid
CID 85342909
2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 4712584
9H-fluoren-9-ylmethyl N-piperidin-4-ylcarbamate
CID 2756219
9H-fluoren-9-ylmethyl N-(methylamino)carbamate
CID 10516035
cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid
CID 91758019
cis-(1R,2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid;cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid
CID 127239806

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2R,3R)-2-methyl-4-oxooxolan-3-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2R,3R)-2-methyl-4-oxooxolan-3-yl]carbamate (CID 57457757) is 9H-fluoren-9-ylmethyl N-[(2R,3R)-2-methyl-4-oxooxolan-3-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2R,3R)-2-methyl-4-oxooxolan-3-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2R,3R)-2-methyl-4-oxooxolan-3-yl]carbamate is C[C@H]1OCC(=O)[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2R,3R)-2-methyl-4-oxooxolan-3-yl]carbamate?
The InChIKey is DEXXJHNWQYMDSZ-CWTRNNRKSA-N. The full InChI is InChI=1S/C20H19NO4/c1-12-19(18(22)11-24-12)21-20(23)25-10-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17,19H,10-11H2,1H3,(H,21,23)/t12-,19-/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2R,3R)-2-methyl-4-oxooxolan-3-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(2R,3R)-2-methyl-4-oxooxolan-3-yl]carbamate has a molecular weight of 337.38 g/mol, XLogP of 2.88, 3 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,3R)-2-methyl-4-oxooxolan-3-yl]carbamate is sourced from PubChem (CID 57457757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).