9H-fluoren-9-yl (2S)-pyrrolidine-2-carboxylate

C18H17NO2 — CID 175310399

IUPAC9H-fluoren-9-yl (2S)-pyrrolidine-2-carboxylate
SMILESO=C(OC1c2ccccc2-c2ccccc21)[C@@H]1CCCN1
InChIInChI=1S/C18H17NO2/c20-18(16-10-5-11-19-16)21-17-14-8-3-1-6-12(14)13-7-2-4-9-15(13)17/h1-4,6-9,16-17,19H,5,10-11H2/t16-/m0/s1
InChIKeyDMGNOMZKLJFCLM-INIZCTEOSA-N
MW279.34 g/mol
LogP3.05
Rot. Bonds2

About 9H-fluoren-9-yl (2S)-pyrrolidine-2-carboxylate

9H-fluoren-9-yl (2S)-pyrrolidine-2-carboxylate (PubChem CID 175310399) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 9H-fluoren-9-yl (2S)-pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-yl (2S)-pyrrolidine-2-carboxylate
PubChem CID175310399
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name9H-fluoren-9-yl (2S)-pyrrolidine-2-carboxylate
SMILESO=C(OC1c2ccccc2-c2ccccc21)[C@@H]1CCCN1
InChIInChI=1S/C18H17NO2/c20-18(16-10-5-11-19-16)21-17-14-8-3-1-6-12(14)13-7-2-4-9-15(13)17/h1-4,6-9,16-17,19H,5,10-11H2/t16-/m0/s1
InChIKeyDMGNOMZKLJFCLM-INIZCTEOSA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-pyrrolidin-2-yl] (2R)-pyrrolidine-2-carboxylate
CID 162533154
2-phenoxyethyl pyrrolidine-2-carboxylate
CID 61302272
4-O-prop-2-enyl 1-O-(pyrrolidine-2-carbonyl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanedioate
CID 175979478
(2-methylphenyl)methyl pyrrolidine-2-carboxylate
CID 82114190
(2-deuteriophenyl) (2S)-pyrrolidine-2-carboxylate
CID 91093438
benzenesulfonyl pyrrolidine-2-carboxylate
CID 54547864
[(2S)-pyrrolidine-2-carbonyl] (2S)-pyrrolidine-2-carboxylate
CID 57156307
9H-fluoren-9-yl 1-azabicyclo[2.2.2]octane-3-carboxylate
CID 70925774
cycloheptyl (2R)-piperidine-2-carboxylate
CID 79034969
2-phenoxyethyl (2R)-piperidine-2-carboxylate
CID 79034822
phenyl(piperidin-2-yl)methanone
CID 19772085
[(2S)-pyrrolidin-2-yl]-(9H-xanthen-9-yl)methanone
CID 175844218

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl (2S)-pyrrolidine-2-carboxylate?
The IUPAC name of 9H-fluoren-9-yl (2S)-pyrrolidine-2-carboxylate (CID 175310399) is 9H-fluoren-9-yl (2S)-pyrrolidine-2-carboxylate.
What is the SMILES notation for 9H-fluoren-9-yl (2S)-pyrrolidine-2-carboxylate?
The canonical SMILES for 9H-fluoren-9-yl (2S)-pyrrolidine-2-carboxylate is O=C(OC1c2ccccc2-c2ccccc21)[C@@H]1CCCN1.
What is the InChIKey of 9H-fluoren-9-yl (2S)-pyrrolidine-2-carboxylate?
The InChIKey is DMGNOMZKLJFCLM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17NO2/c20-18(16-10-5-11-19-16)21-17-14-8-3-1-6-12(14)13-7-2-4-9-15(13)17/h1-4,6-9,16-17,19H,5,10-11H2/t16-/m0/s1.
What are the key properties of 9H-fluoren-9-yl (2S)-pyrrolidine-2-carboxylate?
9H-fluoren-9-yl (2S)-pyrrolidine-2-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl (2S)-pyrrolidine-2-carboxylate is sourced from PubChem (CID 175310399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).