ethyl (3R)-1-(4-aminonaphthalen-1-yl)pyrrolidine-3-carboxylate

C17H20N2O2 — CID 118963928

IUPACethyl (3R)-1-(4-aminonaphthalen-1-yl)pyrrolidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCN(c2ccc(N)c3ccccc23)C1
InChIInChI=1S/C17H20N2O2/c1-2-21-17(20)12-9-10-19(11-12)16-8-7-15(18)13-5-3-4-6-14(13)16/h3-8,12H,2,9-11,18H2,1H3/t12-/m1/s1
InChIKeyWMVLJRFSLQCXLI-GFCCVEGCSA-N
MW284.36 g/mol
LogP2.81
Rot. Bonds3

About ethyl (3R)-1-(4-aminonaphthalen-1-yl)pyrrolidine-3-carboxylate

ethyl (3R)-1-(4-aminonaphthalen-1-yl)pyrrolidine-3-carboxylate (PubChem CID 118963928) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is ethyl (3R)-1-(4-aminonaphthalen-1-yl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-(4-aminonaphthalen-1-yl)pyrrolidine-3-carboxylate
PubChem CID118963928
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Nameethyl (3R)-1-(4-aminonaphthalen-1-yl)pyrrolidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCN(c2ccc(N)c3ccccc23)C1
InChIInChI=1S/C17H20N2O2/c1-2-21-17(20)12-9-10-19(11-12)16-8-7-15(18)13-5-3-4-6-14(13)16/h3-8,12H,2,9-11,18H2,1H3/t12-/m1/s1
InChIKeyWMVLJRFSLQCXLI-GFCCVEGCSA-N
XLogP2.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-(4-aminonaphthalen-1-yl)piperidine-3-carboxylate
CID 118952705
ethyl 1-(4-chlorophthalazin-1-yl)piperidine-4-carboxylate
CID 172774199
ethyl 1-(4-amino-2-cyanophenyl)piperidine-4-carboxylate
CID 22227900
ethyl 1-(2-cyanophenyl)piperidine-3-carboxylate
CID 43180301
ethyl 1-(3-aminophenyl)piperidine-4-carboxylate
CID 22060555
ethyl (3S)-1-(8-methoxyisoquinolin-4-yl)piperidine-3-carboxylate
CID 169214498
ethyl 1-(3,4,5-trichlorophenyl)pyrrolidine-3-carboxylate
CID 67937102
ethyl 1-phthalazin-1-ylpiperidine-3-carboxylate
CID 60631772
ethyl 1-(2-cyano-4-methylphenyl)piperidine-4-carboxylate
CID 107926994
ethyl 1-(2,3,4-trifluorophenyl)piperidine-3-carboxylate
CID 82537647
ethyl 1-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylate
CID 83981205
ethyl 1-(1,2,4-benzotriazin-3-yl)piperidine-3-carboxylate
CID 103204945

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-(4-aminonaphthalen-1-yl)pyrrolidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-(4-aminonaphthalen-1-yl)pyrrolidine-3-carboxylate (CID 118963928) is ethyl (3R)-1-(4-aminonaphthalen-1-yl)pyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-(4-aminonaphthalen-1-yl)pyrrolidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-(4-aminonaphthalen-1-yl)pyrrolidine-3-carboxylate is CCOC(=O)[C@@H]1CCN(c2ccc(N)c3ccccc23)C1.
What is the InChIKey of ethyl (3R)-1-(4-aminonaphthalen-1-yl)pyrrolidine-3-carboxylate?
The InChIKey is WMVLJRFSLQCXLI-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-21-17(20)12-9-10-19(11-12)16-8-7-15(18)13-5-3-4-6-14(13)16/h3-8,12H,2,9-11,18H2,1H3/t12-/m1/s1.
What are the key properties of ethyl (3R)-1-(4-aminonaphthalen-1-yl)pyrrolidine-3-carboxylate?
ethyl (3R)-1-(4-aminonaphthalen-1-yl)pyrrolidine-3-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-(4-aminonaphthalen-1-yl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 118963928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).