benzyl 2-(2-aminophenyl)pyrrolidine-1-carboxylate

C18H20N2O2 — CID 175376417

IUPACbenzyl 2-(2-aminophenyl)pyrrolidine-1-carboxylate
SMILESNc1ccccc1C1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C18H20N2O2/c19-16-10-5-4-9-15(16)17-11-6-12-20(17)18(21)22-13-14-7-2-1-3-8-14/h1-5,7-10,17H,6,11-13,19H2
InChIKeyQKCOBFRRULNNFM-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.74
Rot. Bonds3

About benzyl 2-(2-aminophenyl)pyrrolidine-1-carboxylate

benzyl 2-(2-aminophenyl)pyrrolidine-1-carboxylate (PubChem CID 175376417) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is benzyl 2-(2-aminophenyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(2-aminophenyl)pyrrolidine-1-carboxylate
PubChem CID175376417
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Namebenzyl 2-(2-aminophenyl)pyrrolidine-1-carboxylate
SMILESNc1ccccc1C1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C18H20N2O2/c19-16-10-5-4-9-15(16)17-11-6-12-20(17)18(21)22-13-14-7-2-1-3-8-14/h1-5,7-10,17H,6,11-13,19H2
InChIKeyQKCOBFRRULNNFM-UHFFFAOYSA-N
XLogP3.74
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl 2-(3-aminophenyl)pyrrolidine-1-carboxylate
CID 84818132
tert-butyl (2R)-2-(2-aminophenyl)pyrrolidine-1-carboxylate
CID 34178068
benzyl 2-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxylate
CID 102541489
benzyl (2S)-2-pyridin-2-ylpyrrolidine-1-carboxylate
CID 14814122
benzyl 2-(2-anilino-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102540544
benzyl 2-(2-methyl-6-sulfanylidene-1H-pyridin-3-yl)pyrrolidine-1-carboxylate
CID 102542728
benzyl 2-(2-piperazin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102541660
benzyl 2-[2-(3-methylimidazol-4-yl)phenyl]pyrrolidine-1-carboxylate
CID 134525051
benzyl 2-(4-methyl-6-sulfanylidene-1H-pyridin-3-yl)pyrrolidine-1-carboxylate
CID 102542696
benzyl 9-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene-9-carboxylate
CID 129067856
2-fluoro-4-(1-phenylmethoxycarbonylpyrrolidin-2-yl)benzoic acid
CID 66621304
benzyl 2-(oxiran-2-yl)pyrrolidine-1-carboxylate
CID 21051103

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(2-aminophenyl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-(2-aminophenyl)pyrrolidine-1-carboxylate (CID 175376417) is benzyl 2-(2-aminophenyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-(2-aminophenyl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-(2-aminophenyl)pyrrolidine-1-carboxylate is Nc1ccccc1C1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(2-aminophenyl)pyrrolidine-1-carboxylate?
The InChIKey is QKCOBFRRULNNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c19-16-10-5-4-9-15(16)17-11-6-12-20(17)18(21)22-13-14-7-2-1-3-8-14/h1-5,7-10,17H,6,11-13,19H2.
What are the key properties of benzyl 2-(2-aminophenyl)pyrrolidine-1-carboxylate?
benzyl 2-(2-aminophenyl)pyrrolidine-1-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(2-aminophenyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 175376417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).