naphthalen-1-amine;(2S)-4-oxopyrrolidine-2-carboxylic acid

C15H16N2O3 — CID 126520484

IUPACnaphthalen-1-amine;(2S)-4-oxopyrrolidine-2-carboxylic acid
SMILESNc1cccc2ccccc12.O=C1CN[C@H](C(=O)O)C1
InChIInChI=1S/C10H9N.C5H7NO3/c11-10-7-3-5-8-4-1-2-6-9(8)10;7-3-1-4(5(8)9)6-2-3/h1-7H,11H2;4,6H,1-2H2,(H,8,9)/t;4-/m.0/s1
InChIKeyOPRALGWJGKQZHV-VWMHFEHESA-N
MW272.30 g/mol
LogP1.42
Rot. Bonds1

About naphthalen-1-amine;(2S)-4-oxopyrrolidine-2-carboxylic acid

naphthalen-1-amine;(2S)-4-oxopyrrolidine-2-carboxylic acid (PubChem CID 126520484) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is naphthalen-1-amine;(2S)-4-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Namenaphthalen-1-amine;(2S)-4-oxopyrrolidine-2-carboxylic acid
PubChem CID126520484
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Namenaphthalen-1-amine;(2S)-4-oxopyrrolidine-2-carboxylic acid
SMILESNc1cccc2ccccc12.O=C1CN[C@H](C(=O)O)C1
InChIInChI=1S/C10H9N.C5H7NO3/c11-10-7-3-5-8-4-1-2-6-9(8)10;7-3-1-4(5(8)9)6-2-3/h1-7H,11H2;4,6H,1-2H2,(H,8,9)/t;4-/m.0/s1
InChIKeyOPRALGWJGKQZHV-VWMHFEHESA-N
XLogP1.42
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-amine;(2S)-4-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of naphthalen-1-amine;(2S)-4-oxopyrrolidine-2-carboxylic acid (CID 126520484) is naphthalen-1-amine;(2S)-4-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for naphthalen-1-amine;(2S)-4-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for naphthalen-1-amine;(2S)-4-oxopyrrolidine-2-carboxylic acid is Nc1cccc2ccccc12.O=C1CN[C@H](C(=O)O)C1.
What is the InChIKey of naphthalen-1-amine;(2S)-4-oxopyrrolidine-2-carboxylic acid?
The InChIKey is OPRALGWJGKQZHV-VWMHFEHESA-N. The full InChI is InChI=1S/C10H9N.C5H7NO3/c11-10-7-3-5-8-4-1-2-6-9(8)10;7-3-1-4(5(8)9)6-2-3/h1-7H,11H2;4,6H,1-2H2,(H,8,9)/t;4-/m.0/s1.
What are the key properties of naphthalen-1-amine;(2S)-4-oxopyrrolidine-2-carboxylic acid?
naphthalen-1-amine;(2S)-4-oxopyrrolidine-2-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 1.42, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-amine;(2S)-4-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 126520484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).