methyl 3-amino-3-naphthalen-1-ylbutanoate

C15H17NO2 — CID 79849227

IUPACmethyl 3-amino-3-naphthalen-1-ylbutanoate
SMILESCOC(=O)CC(C)(N)c1cccc2ccccc12
InChIInChI=1S/C15H17NO2/c1-15(16,10-14(17)18-2)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,10,16H2,1-2H3
InChIKeyPSYUEZHKOLURMA-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.58
Rot. Bonds3

About methyl 3-amino-3-naphthalen-1-ylbutanoate

methyl 3-amino-3-naphthalen-1-ylbutanoate (PubChem CID 79849227) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is methyl 3-amino-3-naphthalen-1-ylbutanoate.

Molecular Properties

Compound Namemethyl 3-amino-3-naphthalen-1-ylbutanoate
PubChem CID79849227
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Namemethyl 3-amino-3-naphthalen-1-ylbutanoate
SMILESCOC(=O)CC(C)(N)c1cccc2ccccc12
InChIInChI=1S/C15H17NO2/c1-15(16,10-14(17)18-2)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,10,16H2,1-2H3
InChIKeyPSYUEZHKOLURMA-UHFFFAOYSA-N
XLogP2.58
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-amino-3-naphthalen-1-ylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-amino-3-naphthalen-1-ylbutanoate
CID 79849159
ethyl 2-amino-2-naphthalen-1-ylpropanoate
CID 60796061
3-methyl-3-naphthalen-1-ylbutanoic acid
CID 79020311
methyl 3-amino-3-(4-methoxyphenyl)butanoate
CID 79848680
ethyl 3-amino-3-(2-methylphenyl)butanoate
CID 79849157
(2R)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid
CID 67197757
(2S)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid
CID 66760761
methyl 4-amino-3-(2-chlorophenyl)-3,4-dimethylpentanoate
CID 66096712
ethyl 4-amino-2-methyl-2-naphthalen-1-ylbutanoate
CID 117049874
3-hydroxy-3-naphthalen-1-ylbutanoic acid
CID 598604
methyl (2R)-2-[(1R)-1-hydroxy-1-naphthalen-1-ylethyl]but-3-enoate
CID 101424869
methyl 3-amino-3-(2,4-dimethoxyphenyl)butanoate
CID 79849072

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-3-naphthalen-1-ylbutanoate?
The IUPAC name of methyl 3-amino-3-naphthalen-1-ylbutanoate (CID 79849227) is methyl 3-amino-3-naphthalen-1-ylbutanoate.
What is the SMILES notation for methyl 3-amino-3-naphthalen-1-ylbutanoate?
The canonical SMILES for methyl 3-amino-3-naphthalen-1-ylbutanoate is COC(=O)CC(C)(N)c1cccc2ccccc12.
What is the InChIKey of methyl 3-amino-3-naphthalen-1-ylbutanoate?
The InChIKey is PSYUEZHKOLURMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-15(16,10-14(17)18-2)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,10,16H2,1-2H3.
What are the key properties of methyl 3-amino-3-naphthalen-1-ylbutanoate?
methyl 3-amino-3-naphthalen-1-ylbutanoate has a molecular weight of 243.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-3-naphthalen-1-ylbutanoate is sourced from PubChem (CID 79849227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).