9H-fluoren-9-ylmethyl N-(1-cyclopentyl-2-hydroxyethyl)carbamate

C22H25NO3 — CID 131162320

IUPAC9H-fluoren-9-ylmethyl N-(1-cyclopentyl-2-hydroxyethyl)carbamate
SMILESO=C(NC(CO)C1CCCC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H25NO3/c24-13-21(15-7-1-2-8-15)23-22(25)26-14-20-18-11-5-3-9-16(18)17-10-4-6-12-19(17)20/h3-6,9-12,15,20-21,24H,1-2,7-8,13-14H2,(H,23,25)
InChIKeyJNWHOZORGMRSSO-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.08
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-(1-cyclopentyl-2-hydroxyethyl)carbamate

9H-fluoren-9-ylmethyl N-(1-cyclopentyl-2-hydroxyethyl)carbamate (PubChem CID 131162320) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(1-cyclopentyl-2-hydroxyethyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(1-cyclopentyl-2-hydroxyethyl)carbamate
PubChem CID131162320
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name9H-fluoren-9-ylmethyl N-(1-cyclopentyl-2-hydroxyethyl)carbamate
SMILESO=C(NC(CO)C1CCCC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H25NO3/c24-13-21(15-7-1-2-8-15)23-22(25)26-14-20-18-11-5-3-9-16(18)17-10-4-6-12-19(17)20/h3-6,9-12,15,20-21,24H,1-2,7-8,13-14H2,(H,23,25)
InChIKeyJNWHOZORGMRSSO-UHFFFAOYSA-N
XLogP4.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-cyclohexyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 7015473
(2R)-2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 7146280
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-methylcyclohexyl)propanoic acid
CID 104941327
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 6924106
(3R)-4-cyclohexyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate
CID 7176369
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(1S,3R)-3-hydroxycyclohexyl]acetic acid
CID 155270883
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid;hydrate
CID 70700086
9H-fluoren-9-ylmethyl N-[(2S)-3-cyclohexyl-1-[[(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]carbamate
CID 10842200
(3S)-4-cyclopropyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
CID 171703009
3-[[3-cyclopropyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 165456727
dicyclohexylmethyl (2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,5-dihydroxy-3-methylpentanoate
CID 175559236
(2R,3S)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid
CID 177277763

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(1-cyclopentyl-2-hydroxyethyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(1-cyclopentyl-2-hydroxyethyl)carbamate (CID 131162320) is 9H-fluoren-9-ylmethyl N-(1-cyclopentyl-2-hydroxyethyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(1-cyclopentyl-2-hydroxyethyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(1-cyclopentyl-2-hydroxyethyl)carbamate is O=C(NC(CO)C1CCCC1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(1-cyclopentyl-2-hydroxyethyl)carbamate?
The InChIKey is JNWHOZORGMRSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c24-13-21(15-7-1-2-8-15)23-22(25)26-14-20-18-11-5-3-9-16(18)17-10-4-6-12-19(17)20/h3-6,9-12,15,20-21,24H,1-2,7-8,13-14H2,(H,23,25).
What are the key properties of 9H-fluoren-9-ylmethyl N-(1-cyclopentyl-2-hydroxyethyl)carbamate?
9H-fluoren-9-ylmethyl N-(1-cyclopentyl-2-hydroxyethyl)carbamate has a molecular weight of 351.45 g/mol, XLogP of 4.08, 5 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-(1-cyclopentyl-2-hydroxyethyl)carbamate is sourced from PubChem (CID 131162320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).