ethyl 4-amino-2-methyl-2-naphthalen-1-ylbutanoate

C17H21NO2 — CID 117049874

IUPACethyl 4-amino-2-methyl-2-naphthalen-1-ylbutanoate
SMILESCCOC(=O)C(C)(CCN)c1cccc2ccccc12
InChIInChI=1S/C17H21NO2/c1-3-20-16(19)17(2,11-12-18)15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,3,11-12,18H2,1-2H3
InChIKeyJITRJUHUFHIANA-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.01
Rot. Bonds5

About ethyl 4-amino-2-methyl-2-naphthalen-1-ylbutanoate

ethyl 4-amino-2-methyl-2-naphthalen-1-ylbutanoate (PubChem CID 117049874) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is ethyl 4-amino-2-methyl-2-naphthalen-1-ylbutanoate.

Molecular Properties

Compound Nameethyl 4-amino-2-methyl-2-naphthalen-1-ylbutanoate
PubChem CID117049874
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Nameethyl 4-amino-2-methyl-2-naphthalen-1-ylbutanoate
SMILESCCOC(=O)C(C)(CCN)c1cccc2ccccc12
InChIInChI=1S/C17H21NO2/c1-3-20-16(19)17(2,11-12-18)15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,3,11-12,18H2,1-2H3
InChIKeyJITRJUHUFHIANA-UHFFFAOYSA-N
XLogP3.01
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-amino-2-naphthalen-1-ylpropanoate
CID 60796061
ethyl 4-amino-2-methyl-2-(2-nitrophenyl)butanoate
CID 117049890
ethyl 3-amino-3-naphthalen-1-ylbutanoate
CID 79849159
ethyl 4-amino-2-(2,4-difluorophenyl)-2-methylbutanoate
CID 117049865
ethyl 3,3,3-trifluoro-2-hydroxy-2-naphthalen-1-ylpropanoate
CID 12060174
ethyl 4-amino-2-(4-amino-2-fluorophenyl)-2-methylbutanoate
CID 117049885
2-methyl-2-naphthalen-1-ylbutanoyl chloride
CID 117047849
ethyl 5-amino-2-methyl-2-naphthalen-2-ylpentanoate
CID 117049792
methyl 3-amino-3-naphthalen-1-ylbutanoate
CID 79849227
ethyl (2S)-2-amino-2-methyl-3-naphthalen-1-ylpropanoate
CID 11173902
3-methyl-3-naphthalen-1-ylbutanoic acid
CID 79020311
(2R)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid
CID 67197757

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-methyl-2-naphthalen-1-ylbutanoate?
The IUPAC name of ethyl 4-amino-2-methyl-2-naphthalen-1-ylbutanoate (CID 117049874) is ethyl 4-amino-2-methyl-2-naphthalen-1-ylbutanoate.
What is the SMILES notation for ethyl 4-amino-2-methyl-2-naphthalen-1-ylbutanoate?
The canonical SMILES for ethyl 4-amino-2-methyl-2-naphthalen-1-ylbutanoate is CCOC(=O)C(C)(CCN)c1cccc2ccccc12.
What is the InChIKey of ethyl 4-amino-2-methyl-2-naphthalen-1-ylbutanoate?
The InChIKey is JITRJUHUFHIANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-20-16(19)17(2,11-12-18)15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,3,11-12,18H2,1-2H3.
What are the key properties of ethyl 4-amino-2-methyl-2-naphthalen-1-ylbutanoate?
ethyl 4-amino-2-methyl-2-naphthalen-1-ylbutanoate has a molecular weight of 271.36 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-methyl-2-naphthalen-1-ylbutanoate is sourced from PubChem (CID 117049874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).