9H-fluoren-9-ylmethyl N-(1-propanoylpyrrolidin-3-yl)carbamate

C22H24N2O3 — CID 71079728

IUPAC9H-fluoren-9-ylmethyl N-(1-propanoylpyrrolidin-3-yl)carbamate
SMILESCCC(=O)N1CCC(NC(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C22H24N2O3/c1-2-21(25)24-12-11-15(13-24)23-22(26)27-14-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,15,20H,2,11-14H2,1H3,(H,23,26)
InChIKeyXKCOAMSNEOSWEF-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.54
Rot. Bonds4

About 9H-fluoren-9-ylmethyl N-(1-propanoylpyrrolidin-3-yl)carbamate

9H-fluoren-9-ylmethyl N-(1-propanoylpyrrolidin-3-yl)carbamate (PubChem CID 71079728) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(1-propanoylpyrrolidin-3-yl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(1-propanoylpyrrolidin-3-yl)carbamate
PubChem CID71079728
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Name9H-fluoren-9-ylmethyl N-(1-propanoylpyrrolidin-3-yl)carbamate
SMILESCCC(=O)N1CCC(NC(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C22H24N2O3/c1-2-21(25)24-12-11-15(13-24)23-22(26)27-14-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,15,20H,2,11-14H2,1H3,(H,23,26)
InChIKeyXKCOAMSNEOSWEF-UHFFFAOYSA-N
XLogP3.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-propanoylpyrrolidine-2-carboxylic acid
CID 67596403
tert-butyl 3-(9H-fluoren-9-ylmethoxycarbonylamino)azetidine-1-carboxylate
CID 163288237
9H-fluoren-9-ylmethyl (3R)-3-[(2-aminoacetyl)amino]pyrrolidine-1-carboxylate;hydrochloride
CID 69216384
9H-fluoren-9-ylmethyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 124585179
9H-fluoren-9-ylmethyl N-piperidin-4-ylcarbamate
CID 2756219
9H-fluoren-9-ylmethyl N-(1-phenyldiazenylpiperidin-4-yl)carbamate
CID 122205051
9H-fluoren-9-ylmethyl N-(oxolan-3-yl)carbamate
CID 166803824
4-[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)piperidin-1-yl]benzoic acid
CID 125422013
3-ethyl-1-[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]azetidine-3-carboxylic acid
CID 178202480
9H-fluoren-9-ylmethyl N-[4-(2-bromoacetyl)cyclohexyl]carbamate
CID 86643648
9H-fluoren-9-ylmethyl (5R)-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]diazinane-1-carboxylate
CID 163203435
4-[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]morpholine-2-carboxylic acid
CID 178192677

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(1-propanoylpyrrolidin-3-yl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(1-propanoylpyrrolidin-3-yl)carbamate (CID 71079728) is 9H-fluoren-9-ylmethyl N-(1-propanoylpyrrolidin-3-yl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(1-propanoylpyrrolidin-3-yl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(1-propanoylpyrrolidin-3-yl)carbamate is CCC(=O)N1CCC(NC(=O)OCC2c3ccccc3-c3ccccc32)C1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(1-propanoylpyrrolidin-3-yl)carbamate?
The InChIKey is XKCOAMSNEOSWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-2-21(25)24-12-11-15(13-24)23-22(26)27-14-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,15,20H,2,11-14H2,1H3,(H,23,26).
What are the key properties of 9H-fluoren-9-ylmethyl N-(1-propanoylpyrrolidin-3-yl)carbamate?
9H-fluoren-9-ylmethyl N-(1-propanoylpyrrolidin-3-yl)carbamate has a molecular weight of 364.44 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(1-propanoylpyrrolidin-3-yl)carbamate is sourced from PubChem (CID 71079728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).