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

C19H20N2O2 — CID 53442786

IUPAC9H-fluoren-9-ylmethyl 1-aminopyrrolidine-3-carboxylate
SMILESNN1CCC(C(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C19H20N2O2/c20-21-10-9-13(11-21)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
InChIKeyACPOJNLODHRUAC-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.54
Rot. Bonds3

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

9H-fluoren-9-ylmethyl 1-aminopyrrolidine-3-carboxylate (PubChem CID 53442786) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 1-aminopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 1-aminopyrrolidine-3-carboxylate
PubChem CID53442786
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name9H-fluoren-9-ylmethyl 1-aminopyrrolidine-3-carboxylate
SMILESNN1CCC(C(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C19H20N2O2/c20-21-10-9-13(11-21)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
InChIKeyACPOJNLODHRUAC-UHFFFAOYSA-N
XLogP2.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl cyclohexanecarboxylate
CID 22102217
1-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 68838890
9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate
CID 86647451
acetic acid;9H-fluoren-9-ylmethyl 4-aminocyclohexane-1-carboxylate
CID 53444085
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate
CID 2756439
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
9H-fluoren-9-ylmethyl 3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 76652146
1-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 125423518
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
trans-9H-fluoren-9-ylmethyl (1R,2R)-2-aminocyclohexane-1-carboxylate
CID 140639603

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 1-aminopyrrolidine-3-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 1-aminopyrrolidine-3-carboxylate (CID 53442786) is 9H-fluoren-9-ylmethyl 1-aminopyrrolidine-3-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 1-aminopyrrolidine-3-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 1-aminopyrrolidine-3-carboxylate is NN1CCC(C(=O)OCC2c3ccccc3-c3ccccc32)C1.
What is the InChIKey of 9H-fluoren-9-ylmethyl 1-aminopyrrolidine-3-carboxylate?
The InChIKey is ACPOJNLODHRUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c20-21-10-9-13(11-21)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 1-aminopyrrolidine-3-carboxylate?
9H-fluoren-9-ylmethyl 1-aminopyrrolidine-3-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 1-aminopyrrolidine-3-carboxylate is sourced from PubChem (CID 53442786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).