3-[methyl(2-naphthalen-2-ylpropanoyl)amino]propanoic acid

C17H19NO3 — CID 119362623

IUPAC3-[methyl(2-naphthalen-2-ylpropanoyl)amino]propanoic acid
SMILESCC(C(=O)N(C)CCC(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO3/c1-12(17(21)18(2)10-9-16(19)20)14-8-7-13-5-3-4-6-15(13)11-14/h3-8,11-12H,9-10H2,1-2H3,(H,19,20)
InChIKeyJKSBNQICSPRPSW-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.88
Rot. Bonds5

About 3-[methyl(2-naphthalen-2-ylpropanoyl)amino]propanoic acid

3-[methyl(2-naphthalen-2-ylpropanoyl)amino]propanoic acid (PubChem CID 119362623) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-[methyl(2-naphthalen-2-ylpropanoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl(2-naphthalen-2-ylpropanoyl)amino]propanoic acid
PubChem CID119362623
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-[methyl(2-naphthalen-2-ylpropanoyl)amino]propanoic acid
SMILESCC(C(=O)N(C)CCC(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO3/c1-12(17(21)18(2)10-9-16(19)20)14-8-7-13-5-3-4-6-15(13)11-14/h3-8,11-12H,9-10H2,1-2H3,(H,19,20)
InChIKeyJKSBNQICSPRPSW-UHFFFAOYSA-N
XLogP2.88
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-naphthalen-2-ylethyl(propan-2-yl)amino]propanoic acid
CID 65057412
4-(2-naphthalen-2-ylpropanoylamino)butanoic acid
CID 119352727
3-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]-methylamino]propanoic acid
CID 97324518
3-(1-naphthalen-2-ylethylamino)propanoic acid
CID 43087222
3-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]propanoic acid
CID 119233131
3-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]propanoic acid
CID 99849415
2-naphthalen-2-ylpropanehydrazide
CID 116843954
3-[(2-hydroxy-2-phenylacetyl)-methylamino]propanoic acid
CID 60989999
3-[methyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid
CID 115731293
(3S)-3-naphthalen-2-ylbutanoic acid
CID 11350489
(2R)-2-naphthalen-2-ylpropanamide
CID 101175106
3-[methyl-(3-methyl-2-phenylpentanoyl)amino]propanoic acid
CID 60990079

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-naphthalen-2-ylpropanoyl)amino]propanoic acid?
The IUPAC name of 3-[methyl(2-naphthalen-2-ylpropanoyl)amino]propanoic acid (CID 119362623) is 3-[methyl(2-naphthalen-2-ylpropanoyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl(2-naphthalen-2-ylpropanoyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl(2-naphthalen-2-ylpropanoyl)amino]propanoic acid is CC(C(=O)N(C)CCC(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of 3-[methyl(2-naphthalen-2-ylpropanoyl)amino]propanoic acid?
The InChIKey is JKSBNQICSPRPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12(17(21)18(2)10-9-16(19)20)14-8-7-13-5-3-4-6-15(13)11-14/h3-8,11-12H,9-10H2,1-2H3,(H,19,20).
What are the key properties of 3-[methyl(2-naphthalen-2-ylpropanoyl)amino]propanoic acid?
3-[methyl(2-naphthalen-2-ylpropanoyl)amino]propanoic acid has a molecular weight of 285.34 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-naphthalen-2-ylpropanoyl)amino]propanoic acid is sourced from PubChem (CID 119362623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).