3-[methyl-(2-naphthalen-1-ylacetyl)amino]propanoic acid

C16H17NO3 — CID 60989846

IUPAC3-[methyl-(2-naphthalen-1-ylacetyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C16H17NO3/c1-17(10-9-16(19)20)15(18)11-13-7-4-6-12-5-2-3-8-14(12)13/h2-8H,9-11H2,1H3,(H,19,20)
InChIKeyTXSLRZRUOPAIRG-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.32
Rot. Bonds5

About 3-[methyl-(2-naphthalen-1-ylacetyl)amino]propanoic acid

3-[methyl-(2-naphthalen-1-ylacetyl)amino]propanoic acid (PubChem CID 60989846) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[methyl-(2-naphthalen-1-ylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-(2-naphthalen-1-ylacetyl)amino]propanoic acid
PubChem CID60989846
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-[methyl-(2-naphthalen-1-ylacetyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C16H17NO3/c1-17(10-9-16(19)20)15(18)11-13-7-4-6-12-5-2-3-8-14(12)13/h2-8H,9-11H2,1H3,(H,19,20)
InChIKeyTXSLRZRUOPAIRG-UHFFFAOYSA-N
XLogP2.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[methyl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]butanoic acid
CID 119172823
N-(3-hydroxybutyl)-N-methyl-2-naphthalen-1-ylacetamide
CID 111695871
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
3-[methyl(1-naphthalen-1-ylbutan-2-yl)amino]propanoic acid
CID 84751600
potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988
N-methyl-2-naphthalen-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135690319
3-[[2-(1,2-benzoxazol-3-yl)acetyl]-methylamino]propanoic acid
CID 60988386
3-[3-(2-aminophenyl)propanoyl-methylamino]propanoic acid
CID 107273041
3-[[2-(2,6-dimethoxyphenyl)acetyl]-methylamino]propanoic acid
CID 119362723
4-hydroxy-N-methyl-N-(naphthalen-1-ylmethyl)butanamide
CID 115163076
3-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]propanoic acid
CID 119233131

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(2-naphthalen-1-ylacetyl)amino]propanoic acid?
The IUPAC name of 3-[methyl-(2-naphthalen-1-ylacetyl)amino]propanoic acid (CID 60989846) is 3-[methyl-(2-naphthalen-1-ylacetyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl-(2-naphthalen-1-ylacetyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl-(2-naphthalen-1-ylacetyl)amino]propanoic acid is CN(CCC(=O)O)C(=O)Cc1cccc2ccccc12.
What is the InChIKey of 3-[methyl-(2-naphthalen-1-ylacetyl)amino]propanoic acid?
The InChIKey is TXSLRZRUOPAIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-17(10-9-16(19)20)15(18)11-13-7-4-6-12-5-2-3-8-14(12)13/h2-8H,9-11H2,1H3,(H,19,20).
What are the key properties of 3-[methyl-(2-naphthalen-1-ylacetyl)amino]propanoic acid?
3-[methyl-(2-naphthalen-1-ylacetyl)amino]propanoic acid has a molecular weight of 271.32 g/mol, XLogP of 2.32, 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-1-ylacetyl)amino]propanoic acid is sourced from PubChem (CID 60989846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).