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

C17H19NO3 — CID 62817552

IUPAC2-methyl-2-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoic acid
SMILESCN(C(=O)Cc1ccc2ccccc2c1)C(C)(C)C(=O)O
InChIInChI=1S/C17H19NO3/c1-17(2,16(20)21)18(3)15(19)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyVGJUWKYAQFRBIR-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.70
Rot. Bonds4

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

2-methyl-2-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoic acid (PubChem CID 62817552) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-methyl-2-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoic acid
PubChem CID62817552
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-methyl-2-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoic acid
SMILESCN(C(=O)Cc1ccc2ccccc2c1)C(C)(C)C(=O)O
InChIInChI=1S/C17H19NO3/c1-17(2,16(20)21)18(3)15(19)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyVGJUWKYAQFRBIR-UHFFFAOYSA-N
XLogP2.70
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[methyl-(2-phenylacetyl)amino]propanoic acid
CID 62818448
2-[methyl-(2-naphthalen-2-ylacetyl)amino]acetic acid
CID 18071237
2-methyl-2-[methyl-[2-(4-methylphenyl)acetyl]amino]propanoic acid
CID 55123970
N-(2-aminoethyl)-N-methyl-2-naphthalen-2-ylacetamide
CID 55149469
N-(2-bromoethyl)-N-methyl-2-naphthalen-2-ylacetamide
CID 80658951
N,N-dibenzyl-2-naphthalen-2-ylacetamide
CID 16849652
N-(1-hydroxypropan-2-yl)-N-methyl-2-naphthalen-2-ylacetamide
CID 115765000
2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 119200149
2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetic acid
CID 61021983
2-methyl-2-[methyl-[2-(4-nitrophenyl)acetyl]amino]propanoic acid
CID 62819150
2-naphthalen-2-ylacetic acid;hydrate
CID 141284527
CID 173442082
CID 173442082

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoic acid (CID 62817552) is 2-methyl-2-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoic acid is CN(C(=O)Cc1ccc2ccccc2c1)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoic acid?
The InChIKey is VGJUWKYAQFRBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-17(2,16(20)21)18(3)15(19)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-10H,11H2,1-3H3,(H,20,21).
What are the key properties of 2-methyl-2-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoic acid?
2-methyl-2-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoic acid has a molecular weight of 285.34 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoic acid is sourced from PubChem (CID 62817552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).