4-(2-naphthalen-2-ylpropanoylamino)butanoic acid

C17H19NO3 — CID 119352727

IUPAC4-(2-naphthalen-2-ylpropanoylamino)butanoic acid
SMILESCC(C(=O)NCCCC(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO3/c1-12(17(21)18-10-4-7-16(19)20)14-9-8-13-5-2-3-6-15(13)11-14/h2-3,5-6,8-9,11-12H,4,7,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyFGODDIPCVFMMIR-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.92
Rot. Bonds6

About 4-(2-naphthalen-2-ylpropanoylamino)butanoic acid

4-(2-naphthalen-2-ylpropanoylamino)butanoic acid (PubChem CID 119352727) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-(2-naphthalen-2-ylpropanoylamino)butanoic acid.

Molecular Properties

Compound Name4-(2-naphthalen-2-ylpropanoylamino)butanoic acid
PubChem CID119352727
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name4-(2-naphthalen-2-ylpropanoylamino)butanoic acid
SMILESCC(C(=O)NCCCC(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO3/c1-12(17(21)18-10-4-7-16(19)20)14-9-8-13-5-2-3-6-15(13)11-14/h2-3,5-6,8-9,11-12H,4,7,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyFGODDIPCVFMMIR-UHFFFAOYSA-N
XLogP2.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.92
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

N-[2-(methylamino)ethyl]-2-naphthalen-2-ylpropanamide;hydrochloride
CID 119503851
N-benzyl-2-naphthalen-2-ylpropanamide
CID 102432446
3-[methyl(2-naphthalen-2-ylpropanoyl)amino]propanoic acid
CID 119362623
3-(1-naphthalen-2-ylethylamino)propanoic acid
CID 43087222
N-(2-amino-2-methylpropyl)-2-naphthalen-2-ylpropanamide;hydrochloride
CID 119630118
2-naphthalen-2-ylpropanehydrazide
CID 116843954
5-[2-(3-fluorophenyl)propanoylamino]pentanoic acid
CID 119235220
7-[2-(3-methoxyphenyl)propanoylamino]heptanoic acid
CID 119350863
N-[(2R)-2-(ethylamino)propyl]-2-naphthalen-2-ylpropanamide;hydrochloride
CID 120652768
3-[1-naphthalen-2-ylethyl(propan-2-yl)amino]propanoic acid
CID 65057412
(2S)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-naphthalen-2-ylpropanamide
CID 97017935
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]butanoic acid
CID 80552213

Frequently Asked Questions

What is the IUPAC name of 4-(2-naphthalen-2-ylpropanoylamino)butanoic acid?
The IUPAC name of 4-(2-naphthalen-2-ylpropanoylamino)butanoic acid (CID 119352727) is 4-(2-naphthalen-2-ylpropanoylamino)butanoic acid.
What is the SMILES notation for 4-(2-naphthalen-2-ylpropanoylamino)butanoic acid?
The canonical SMILES for 4-(2-naphthalen-2-ylpropanoylamino)butanoic acid is CC(C(=O)NCCCC(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of 4-(2-naphthalen-2-ylpropanoylamino)butanoic acid?
The InChIKey is FGODDIPCVFMMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12(17(21)18-10-4-7-16(19)20)14-9-8-13-5-2-3-6-15(13)11-14/h2-3,5-6,8-9,11-12H,4,7,10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 4-(2-naphthalen-2-ylpropanoylamino)butanoic acid?
4-(2-naphthalen-2-ylpropanoylamino)butanoic acid has a molecular weight of 285.34 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-naphthalen-2-ylpropanoylamino)butanoic acid is sourced from PubChem (CID 119352727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).