4-[ethyl-[(6-methylnaphthalen-2-yl)methyl]amino]butanoic acid

C18H23NO2 — CID 144687720

IUPAC4-[ethyl-[(6-methylnaphthalen-2-yl)methyl]amino]butanoic acid
SMILESCCN(CCCC(=O)O)Cc1ccc2cc(C)ccc2c1
InChIInChI=1S/C18H23NO2/c1-3-19(10-4-5-18(20)21)13-15-7-9-16-11-14(2)6-8-17(16)12-15/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,20,21)
InChIKeyWELWUEJREOMQIV-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.83
Rot. Bonds7

About 4-[ethyl-[(6-methylnaphthalen-2-yl)methyl]amino]butanoic acid

4-[ethyl-[(6-methylnaphthalen-2-yl)methyl]amino]butanoic acid (PubChem CID 144687720) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[ethyl-[(6-methylnaphthalen-2-yl)methyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[ethyl-[(6-methylnaphthalen-2-yl)methyl]amino]butanoic acid
PubChem CID144687720
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-[ethyl-[(6-methylnaphthalen-2-yl)methyl]amino]butanoic acid
SMILESCCN(CCCC(=O)O)Cc1ccc2cc(C)ccc2c1
InChIInChI=1S/C18H23NO2/c1-3-19(10-4-5-18(20)21)13-15-7-9-16-11-14(2)6-8-17(16)12-15/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,20,21)
InChIKeyWELWUEJREOMQIV-UHFFFAOYSA-N
XLogP3.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,5-dimethylphenyl)methyl-ethylamino]propanoic acid
CID 54898747
3-[(2,5-dimethylphenyl)methyl-ethylamino]propanoic acid
CID 61481727
4-[(4-methylphenyl)methyl-prop-2-enylamino]butanoic acid
CID 134701133
3-[(3-bromo-4-methylphenyl)methyl-ethylamino]propanoic acid
CID 105403572
2-(6-methylnaphthalen-2-yl)acetic acid
CID 13199360
3-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]propanoic acid
CID 65062420
5-[benzyl(ethyl)amino]pentan-2-one
CID 62050785
3-[(4-methylthiophen-2-yl)methyl-(naphthalen-2-ylmethyl)amino]propanoic acid
CID 143118886
[6-(diethylaminomethyl)naphthalen-2-yl]methyl carbamate;ethane;4-methylbenzoic acid
CID 155685371
4-[[3-carboxypropyl(propyl)amino]methyl]benzoic acid
CID 59265022
N-methyl-N-[(6-methylnaphthalen-2-yl)methyl]-2-oxoacetamide
CID 115166473
4-[2-carboxyethyl(ethyl)amino]butanoic acid
CID 82330570

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[(6-methylnaphthalen-2-yl)methyl]amino]butanoic acid?
The IUPAC name of 4-[ethyl-[(6-methylnaphthalen-2-yl)methyl]amino]butanoic acid (CID 144687720) is 4-[ethyl-[(6-methylnaphthalen-2-yl)methyl]amino]butanoic acid.
What is the SMILES notation for 4-[ethyl-[(6-methylnaphthalen-2-yl)methyl]amino]butanoic acid?
The canonical SMILES for 4-[ethyl-[(6-methylnaphthalen-2-yl)methyl]amino]butanoic acid is CCN(CCCC(=O)O)Cc1ccc2cc(C)ccc2c1.
What is the InChIKey of 4-[ethyl-[(6-methylnaphthalen-2-yl)methyl]amino]butanoic acid?
The InChIKey is WELWUEJREOMQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-19(10-4-5-18(20)21)13-15-7-9-16-11-14(2)6-8-17(16)12-15/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,20,21).
What are the key properties of 4-[ethyl-[(6-methylnaphthalen-2-yl)methyl]amino]butanoic acid?
4-[ethyl-[(6-methylnaphthalen-2-yl)methyl]amino]butanoic acid has a molecular weight of 285.39 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[(6-methylnaphthalen-2-yl)methyl]amino]butanoic acid is sourced from PubChem (CID 144687720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).