9H-fluoren-9-ylmethyl N-(1-hydroxy-3-methoxypropan-2-yl)carbamate

C19H21NO4 — CID 106182465

IUPAC9H-fluoren-9-ylmethyl N-(1-hydroxy-3-methoxypropan-2-yl)carbamate
SMILESCOCC(CO)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H21NO4/c1-23-11-13(10-21)20-19(22)24-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,13,18,21H,10-12H2,1H3,(H,20,22)
InChIKeyGHERZNLOJWQJSM-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.53
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-(1-hydroxy-3-methoxypropan-2-yl)carbamate

9H-fluoren-9-ylmethyl N-(1-hydroxy-3-methoxypropan-2-yl)carbamate (PubChem CID 106182465) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(1-hydroxy-3-methoxypropan-2-yl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(1-hydroxy-3-methoxypropan-2-yl)carbamate
PubChem CID106182465
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name9H-fluoren-9-ylmethyl N-(1-hydroxy-3-methoxypropan-2-yl)carbamate
SMILESCOCC(CO)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H21NO4/c1-23-11-13(10-21)20-19(22)24-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,13,18,21H,10-12H2,1H3,(H,20,22)
InChIKeyGHERZNLOJWQJSM-UHFFFAOYSA-N
XLogP2.53
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 51340618
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CID 57359373
9H-fluoren-9-ylmethyl N-[(2R)-1-hydroxy-5-oxohexan-2-yl]carbamate
CID 59837877
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 6924106
4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid
CID 22629894
9H-fluoren-9-ylmethyl N-[(2R)-1-hydroxy-4-phenylbutan-2-yl]carbamate
CID 155904032
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxybutanoate
CID 66893735
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamate
CID 57368211
9H-fluoren-9-ylmethyl N-hexan-3-ylcarbamate
CID 118461263
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536
CID 101120722
CID 101120722

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(1-hydroxy-3-methoxypropan-2-yl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(1-hydroxy-3-methoxypropan-2-yl)carbamate (CID 106182465) is 9H-fluoren-9-ylmethyl N-(1-hydroxy-3-methoxypropan-2-yl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(1-hydroxy-3-methoxypropan-2-yl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(1-hydroxy-3-methoxypropan-2-yl)carbamate is COCC(CO)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(1-hydroxy-3-methoxypropan-2-yl)carbamate?
The InChIKey is GHERZNLOJWQJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-23-11-13(10-21)20-19(22)24-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,13,18,21H,10-12H2,1H3,(H,20,22).
What are the key properties of 9H-fluoren-9-ylmethyl N-(1-hydroxy-3-methoxypropan-2-yl)carbamate?
9H-fluoren-9-ylmethyl N-(1-hydroxy-3-methoxypropan-2-yl)carbamate has a molecular weight of 327.38 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(1-hydroxy-3-methoxypropan-2-yl)carbamate is sourced from PubChem (CID 106182465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).