3-(1-naphthalen-2-ylethylamino)propanoic acid

C15H17NO2 — CID 43087222

IUPAC3-(1-naphthalen-2-ylethylamino)propanoic acid
SMILESCC(NCCC(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C15H17NO2/c1-11(16-9-8-15(17)18)13-7-6-12-4-2-3-5-14(12)10-13/h2-7,10-11,16H,8-9H2,1H3,(H,17,18)
InChIKeyKLPQHNUFQOZVAJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.97
Rot. Bonds5

About 3-(1-naphthalen-2-ylethylamino)propanoic acid

3-(1-naphthalen-2-ylethylamino)propanoic acid (PubChem CID 43087222) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(1-naphthalen-2-ylethylamino)propanoic acid.

Molecular Properties

Compound Name3-(1-naphthalen-2-ylethylamino)propanoic acid
PubChem CID43087222
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-(1-naphthalen-2-ylethylamino)propanoic acid
SMILESCC(NCCC(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C15H17NO2/c1-11(16-9-8-15(17)18)13-7-6-12-4-2-3-5-14(12)10-13/h2-7,10-11,16H,8-9H2,1H3,(H,17,18)
InChIKeyKLPQHNUFQOZVAJ-UHFFFAOYSA-N
XLogP2.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-phenylethylamino)propanoic acid
CID 2826777
2-(1-naphthalen-2-ylethylamino)ethylurea
CID 83111282
1-naphthalen-2-yl-3-(1-phenylethylamino)propan-1-one
CID 70926564
3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propanoic acid
CID 81371134
5-(1-naphthalen-2-ylethylamino)pentan-1-ol
CID 103912661
N-[2-(1-naphthalen-2-ylethylamino)ethyl]methanesulfonamide
CID 43208132
4-(2-naphthalen-2-ylpropanoylamino)butanoic acid
CID 119352727
4-methyl-N-(1-naphthalen-2-ylethyl)pentan-1-amine
CID 63452555
3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propanoic acid
CID 81352269
3-[1-(4-fluorophenyl)ethylamino]propanoic acid
CID 43087255
3,3,3-trifluoro-N-(1-naphthalen-2-ylethyl)propan-1-amine
CID 60696710
N-[(1R)-1-naphthalen-2-ylethyl]octan-1-amine
CID 166642930

Frequently Asked Questions

What is the IUPAC name of 3-(1-naphthalen-2-ylethylamino)propanoic acid?
The IUPAC name of 3-(1-naphthalen-2-ylethylamino)propanoic acid (CID 43087222) is 3-(1-naphthalen-2-ylethylamino)propanoic acid.
What is the SMILES notation for 3-(1-naphthalen-2-ylethylamino)propanoic acid?
The canonical SMILES for 3-(1-naphthalen-2-ylethylamino)propanoic acid is CC(NCCC(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of 3-(1-naphthalen-2-ylethylamino)propanoic acid?
The InChIKey is KLPQHNUFQOZVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11(16-9-8-15(17)18)13-7-6-12-4-2-3-5-14(12)10-13/h2-7,10-11,16H,8-9H2,1H3,(H,17,18).
What are the key properties of 3-(1-naphthalen-2-ylethylamino)propanoic acid?
3-(1-naphthalen-2-ylethylamino)propanoic acid has a molecular weight of 243.31 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-naphthalen-2-ylethylamino)propanoic acid is sourced from PubChem (CID 43087222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).