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

C15H17NO2 — CID 115218333

IUPAC3-(2-naphthalen-2-ylethylamino)propanoic acid
SMILESO=C(O)CCNCCc1ccc2ccccc2c1
InChIInChI=1S/C15H17NO2/c17-15(18)8-10-16-9-7-12-5-6-13-3-1-2-4-14(13)11-12/h1-6,11,16H,7-10H2,(H,17,18)
InChIKeyXIRMMACWQSLURD-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.45
Rot. Bonds6

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

3-(2-naphthalen-2-ylethylamino)propanoic acid (PubChem CID 115218333) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(2-naphthalen-2-ylethylamino)propanoic acid.

Molecular Properties

Compound Name3-(2-naphthalen-2-ylethylamino)propanoic acid
PubChem CID115218333
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-(2-naphthalen-2-ylethylamino)propanoic acid
SMILESO=C(O)CCNCCc1ccc2ccccc2c1
InChIInChI=1S/C15H17NO2/c17-15(18)8-10-16-9-7-12-5-6-13-3-1-2-4-14(13)11-12/h1-6,11,16H,7-10H2,(H,17,18)
InChIKeyXIRMMACWQSLURD-UHFFFAOYSA-N
XLogP2.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[3-(2-naphthalen-2-ylethoxy)phenyl]ethylamino]propanoic acid
CID 23121301
10-naphthalen-2-yldecanoic acid
CID 21478009
N-(2-naphthalen-2-ylethyl)formamide
CID 12581518
N-(3-naphthalen-2-ylpropyl)-3-phenylpropan-1-amine
CID 67834954
N-(2-naphthalen-2-ylethyl)-2-sulfanylacetamide
CID 87319954
2-methyl-N-(2-naphthalen-2-ylethyl)propanamide
CID 118336690
2-naphthalen-2-yl-N-(2-phenylethyl)acetamide
CID 26913082
(E)-4-(2-naphthalen-2-ylethylamino)-4-oxobut-2-enoic acid
CID 115177298
3-(6-ethylnaphthalen-2-yl)propanoic acid
CID 144687708
N-methyl-3-naphthalen-2-ylpropanamide
CID 47293107
3-(naphthalen-2-yloxycarbonylamino)propanoic acid
CID 82300933
2,2,2-trifluoro-N-(2-naphthalen-2-ylethyl)acetamide
CID 19963458

Frequently Asked Questions

What is the IUPAC name of 3-(2-naphthalen-2-ylethylamino)propanoic acid?
The IUPAC name of 3-(2-naphthalen-2-ylethylamino)propanoic acid (CID 115218333) is 3-(2-naphthalen-2-ylethylamino)propanoic acid.
What is the SMILES notation for 3-(2-naphthalen-2-ylethylamino)propanoic acid?
The canonical SMILES for 3-(2-naphthalen-2-ylethylamino)propanoic acid is O=C(O)CCNCCc1ccc2ccccc2c1.
What is the InChIKey of 3-(2-naphthalen-2-ylethylamino)propanoic acid?
The InChIKey is XIRMMACWQSLURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c17-15(18)8-10-16-9-7-12-5-6-13-3-1-2-4-14(13)11-12/h1-6,11,16H,7-10H2,(H,17,18).
What are the key properties of 3-(2-naphthalen-2-ylethylamino)propanoic acid?
3-(2-naphthalen-2-ylethylamino)propanoic acid has a molecular weight of 243.31 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-naphthalen-2-ylethylamino)propanoic acid is sourced from PubChem (CID 115218333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).