9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate

C19H20N2O2 — CID 2756439

IUPAC9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate
SMILESNC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C19H20N2O2/c20-13-9-10-21(11-13)19(22)23-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18H,9-12,20H2
InChIKeyBCWKNNDZLLBHEG-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.97
Rot. Bonds2

About 9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate

9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate (PubChem CID 2756439) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate
PubChem CID2756439
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate
SMILESNC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C19H20N2O2/c20-13-9-10-21(11-13)19(22)23-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18H,9-12,20H2
InChIKeyBCWKNNDZLLBHEG-UHFFFAOYSA-N
XLogP2.97
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl (4aR,7aS)-6-amino-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine-2-carboxylate
CID 178202530
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303
(3S,4S)-3-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 167735642
[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methylazanium
CID 7010657
9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate
CID 102221470
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate
CID 86647451
9H-fluoren-9-ylmethyl 4-cyanopiperidine-1-carboxylate
CID 2757965
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)azepane-1-carboxylate
CID 130858128
9H-fluoren-9-ylmethyl (3R)-3-[(2-aminoacetyl)amino]pyrrolidine-1-carboxylate;hydrochloride
CID 69216384
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-3-carboxylic acid
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CID 171525727

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate (CID 2756439) is 9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate is NC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1.
What is the InChIKey of 9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate?
The InChIKey is BCWKNNDZLLBHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c20-13-9-10-21(11-13)19(22)23-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18H,9-12,20H2.
What are the key properties of 9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate?
9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate is sourced from PubChem (CID 2756439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).