(3R,4R)-3-amino-4-methyl-1-naphthalen-1-ylazetidin-2-one

C14H14N2O — CID 124676524

IUPAC(3R,4R)-3-amino-4-methyl-1-naphthalen-1-ylazetidin-2-one
SMILESC[C@@H]1[C@@H](N)C(=O)N1c1cccc2ccccc12
InChIInChI=1S/C14H14N2O/c1-9-13(15)14(17)16(9)12-8-4-6-10-5-2-3-7-11(10)12/h2-9,13H,15H2,1H3/t9-,13-/m1/s1
InChIKeyWMWHRXOHXCNIMQ-NOZJJQNGSA-N
MW226.28 g/mol
LogP1.90
Rot. Bonds1

About (3R,4R)-3-amino-4-methyl-1-naphthalen-1-ylazetidin-2-one

(3R,4R)-3-amino-4-methyl-1-naphthalen-1-ylazetidin-2-one (PubChem CID 124676524) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is (3R,4R)-3-amino-4-methyl-1-naphthalen-1-ylazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-amino-4-methyl-1-naphthalen-1-ylazetidin-2-one
PubChem CID124676524
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name(3R,4R)-3-amino-4-methyl-1-naphthalen-1-ylazetidin-2-one
SMILESC[C@@H]1[C@@H](N)C(=O)N1c1cccc2ccccc12
InChIInChI=1S/C14H14N2O/c1-9-13(15)14(17)16(9)12-8-4-6-10-5-2-3-7-11(10)12/h2-9,13H,15H2,1H3/t9-,13-/m1/s1
InChIKeyWMWHRXOHXCNIMQ-NOZJJQNGSA-N
XLogP1.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Acetamide, N-1-naphthalenyl-
CID 68461
6-[4-(2-methylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 11785183
N-(naphthalen-1-yl)propanamide
CID 307009
Acetamide, N-ethyl-N-1-naphthalenyl-
CID 880894
Mnaf
CID 22194
N-1-naphthyl-3-oxobutyramide
CID 66588
Leucine-beta-naphthylamide
CID 102475
Glycine beta-naphthylamide
CID 3013990
6-[4-(2-ethylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 24768516
6-[4-(2-propylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 24768517
6-[4-(2-butylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 24768518
formic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-naphthalen-1-ylpyrrolidine-2-carboxamide
CID 25199554

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-amino-4-methyl-1-naphthalen-1-ylazetidin-2-one?
The IUPAC name of (3R,4R)-3-amino-4-methyl-1-naphthalen-1-ylazetidin-2-one (CID 124676524) is (3R,4R)-3-amino-4-methyl-1-naphthalen-1-ylazetidin-2-one.
What is the SMILES notation for (3R,4R)-3-amino-4-methyl-1-naphthalen-1-ylazetidin-2-one?
The canonical SMILES for (3R,4R)-3-amino-4-methyl-1-naphthalen-1-ylazetidin-2-one is C[C@@H]1[C@@H](N)C(=O)N1c1cccc2ccccc12.
What is the InChIKey of (3R,4R)-3-amino-4-methyl-1-naphthalen-1-ylazetidin-2-one?
The InChIKey is WMWHRXOHXCNIMQ-NOZJJQNGSA-N. The full InChI is InChI=1S/C14H14N2O/c1-9-13(15)14(17)16(9)12-8-4-6-10-5-2-3-7-11(10)12/h2-9,13H,15H2,1H3/t9-,13-/m1/s1.
What are the key properties of (3R,4R)-3-amino-4-methyl-1-naphthalen-1-ylazetidin-2-one?
(3R,4R)-3-amino-4-methyl-1-naphthalen-1-ylazetidin-2-one has a molecular weight of 226.28 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-amino-4-methyl-1-naphthalen-1-ylazetidin-2-one is sourced from PubChem (CID 124676524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).