1-(3-aminonaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid

C15H14N2O3 — CID 168692175

IUPAC1-(3-aminonaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESNc1cc2ccccc2cc1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C15H14N2O3/c16-12-5-9-3-1-2-4-10(9)6-13(12)17-8-11(15(19)20)7-14(17)18/h1-6,11H,7-8,16H2,(H,19,20)
InChIKeyTWFVCAOTFAJYOA-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.86
Rot. Bonds2

About 1-(3-aminonaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid

1-(3-aminonaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168692175) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-(3-aminonaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-aminonaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168692175
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name1-(3-aminonaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESNc1cc2ccccc2cc1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C15H14N2O3/c16-12-5-9-3-1-2-4-10(9)6-13(12)17-8-11(15(19)20)7-14(17)18/h1-6,11H,7-8,16H2,(H,19,20)
InChIKeyTWFVCAOTFAJYOA-UHFFFAOYSA-N
XLogP1.86
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-4-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691853
1-(2-amino-5-iodophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691866
1-(2-amino-4-bromophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691824
1-(2-amino-4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691859
1-(2-amino-5-bromo-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691005
5-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxylic acid
CID 168691890
(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 673097
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
1-(2-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692273
1-(2-acetamidophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 50948586
1-[2-(aminomethyl)-3-fluorophenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691423
1-(2-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 81262940

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminonaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-aminonaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid (CID 168692175) is 1-(3-aminonaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-aminonaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-aminonaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid is Nc1cc2ccccc2cc1N1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-(3-aminonaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is TWFVCAOTFAJYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c16-12-5-9-3-1-2-4-10(9)6-13(12)17-8-11(15(19)20)7-14(17)18/h1-6,11H,7-8,16H2,(H,19,20).
What are the key properties of 1-(3-aminonaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid?
1-(3-aminonaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminonaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168692175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).