methyl 3-(8-aminonaphthalen-2-yl)propanoate

C14H15NO2 — CID 167495420

IUPACmethyl 3-(8-aminonaphthalen-2-yl)propanoate
SMILESCOC(=O)CCc1ccc2cccc(N)c2c1
InChIInChI=1S/C14H15NO2/c1-17-14(16)8-6-10-5-7-11-3-2-4-13(15)12(11)9-10/h2-5,7,9H,6,8,15H2,1H3
InChIKeyMWUGUKBACDWUTI-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.53
Rot. Bonds3

About methyl 3-(8-aminonaphthalen-2-yl)propanoate

methyl 3-(8-aminonaphthalen-2-yl)propanoate (PubChem CID 167495420) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 3-(8-aminonaphthalen-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(8-aminonaphthalen-2-yl)propanoate
PubChem CID167495420
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Namemethyl 3-(8-aminonaphthalen-2-yl)propanoate
SMILESCOC(=O)CCc1ccc2cccc(N)c2c1
InChIInChI=1S/C14H15NO2/c1-17-14(16)8-6-10-5-7-11-3-2-4-13(15)12(11)9-10/h2-5,7,9H,6,8,15H2,1H3
InChIKeyMWUGUKBACDWUTI-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(3,4-diaminophenyl)propanoate
CID 122514005
methyl 3-(3-amino-4-bromophenyl)propanoate
CID 84709341
methyl 3-(4-amino-3-bromophenyl)propanoate
CID 15486660
(8-aminonaphthalen-2-yl) butanoate
CID 14205663
methyl 3-(7,8-diacetyloxynaphthalen-2-yl)propanoate
CID 11530016
(3-methoxy-3-oxopropyl) 3-(3-aminophenyl)propanoate
CID 80701078
methyl 3-[3-amino-4-[2-(4-methylphenyl)ethoxy]-5-naphthalen-2-ylphenyl]propanoate
CID 22558773
methyl 3-(2,3-dimethyl-1H-indol-5-yl)propanoate
CID 116996350
methyl 3-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)propanoate
CID 68679834
methyl 3-[3-(methylamino)phenyl]propanoate
CID 119082922
methyl 3-(3-hydroxy-4-methylphenyl)propanoate
CID 20742465
methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoate
CID 22745227

Frequently Asked Questions

What is the IUPAC name of methyl 3-(8-aminonaphthalen-2-yl)propanoate?
The IUPAC name of methyl 3-(8-aminonaphthalen-2-yl)propanoate (CID 167495420) is methyl 3-(8-aminonaphthalen-2-yl)propanoate.
What is the SMILES notation for methyl 3-(8-aminonaphthalen-2-yl)propanoate?
The canonical SMILES for methyl 3-(8-aminonaphthalen-2-yl)propanoate is COC(=O)CCc1ccc2cccc(N)c2c1.
What is the InChIKey of methyl 3-(8-aminonaphthalen-2-yl)propanoate?
The InChIKey is MWUGUKBACDWUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-17-14(16)8-6-10-5-7-11-3-2-4-13(15)12(11)9-10/h2-5,7,9H,6,8,15H2,1H3.
What are the key properties of methyl 3-(8-aminonaphthalen-2-yl)propanoate?
methyl 3-(8-aminonaphthalen-2-yl)propanoate has a molecular weight of 229.28 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(8-aminonaphthalen-2-yl)propanoate is sourced from PubChem (CID 167495420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).