amino 2-methyl-3-naphthalen-1-ylpropanoate

C14H15NO2 — CID 174381788

IUPACamino 2-methyl-3-naphthalen-1-ylpropanoate
SMILESCC(Cc1cccc2ccccc12)C(=O)ON
InChIInChI=1S/C14H15NO2/c1-10(14(16)17-15)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,10H,9,15H2,1H3
InChIKeyUVFOZPPNRCPWSH-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.44
Rot. Bonds3

About amino 2-methyl-3-naphthalen-1-ylpropanoate

amino 2-methyl-3-naphthalen-1-ylpropanoate (PubChem CID 174381788) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is amino 2-methyl-3-naphthalen-1-ylpropanoate.

Molecular Properties

Compound Nameamino 2-methyl-3-naphthalen-1-ylpropanoate
PubChem CID174381788
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Nameamino 2-methyl-3-naphthalen-1-ylpropanoate
SMILESCC(Cc1cccc2ccccc12)C(=O)ON
InChIInChI=1S/C14H15NO2/c1-10(14(16)17-15)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,10H,9,15H2,1H3
InChIKeyUVFOZPPNRCPWSH-UHFFFAOYSA-N
XLogP2.44
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 18714238
3-amino-4-naphthalen-1-ylbutan-2-one
CID 90132705
4-amino-3-methyl-1-naphthalen-1-ylbutan-2-one
CID 116564413
acetyl 2-hydroxy-3-naphthalen-1-ylpropanoate
CID 139612906
3-methyl-1-naphthalen-1-ylbutan-2-one
CID 12922161
N-[2-(dimethylamino)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
CID 18917772
propan-2-yl (2R)-2-benzyl-3-naphthalen-1-ylpropanoate
CID 24773275
2-methyl-3-naphthalen-1-ylpropane-1,1-diol
CID 20647931
(2R)-2-methyl-3-naphthalen-1-ylpropan-1-amine
CID 37134613
2-methyl-3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide
CID 133202094
(2S)-1-naphthalen-1-ylpropane-2-sulfonamide
CID 125482966
2-(2-methylpropoxy)-3-naphthalen-1-ylpropanoic acid
CID 133245285

Frequently Asked Questions

What is the IUPAC name of amino 2-methyl-3-naphthalen-1-ylpropanoate?
The IUPAC name of amino 2-methyl-3-naphthalen-1-ylpropanoate (CID 174381788) is amino 2-methyl-3-naphthalen-1-ylpropanoate.
What is the SMILES notation for amino 2-methyl-3-naphthalen-1-ylpropanoate?
The canonical SMILES for amino 2-methyl-3-naphthalen-1-ylpropanoate is CC(Cc1cccc2ccccc12)C(=O)ON.
What is the InChIKey of amino 2-methyl-3-naphthalen-1-ylpropanoate?
The InChIKey is UVFOZPPNRCPWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10(14(16)17-15)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,10H,9,15H2,1H3.
What are the key properties of amino 2-methyl-3-naphthalen-1-ylpropanoate?
amino 2-methyl-3-naphthalen-1-ylpropanoate has a molecular weight of 229.28 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-methyl-3-naphthalen-1-ylpropanoate is sourced from PubChem (CID 174381788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).