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

C15H15NO3 — CID 18071237

IUPAC2-[methyl-(2-naphthalen-2-ylacetyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C15H15NO3/c1-16(10-15(18)19)14(17)9-11-6-7-12-4-2-3-5-13(12)8-11/h2-8H,9-10H2,1H3,(H,18,19)
InChIKeyHLVFAZVIIBLHJX-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.93
Rot. Bonds4

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

2-[methyl-(2-naphthalen-2-ylacetyl)amino]acetic acid (PubChem CID 18071237) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[methyl-(2-naphthalen-2-ylacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(2-naphthalen-2-ylacetyl)amino]acetic acid
PubChem CID18071237
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-[methyl-(2-naphthalen-2-ylacetyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C15H15NO3/c1-16(10-15(18)19)14(17)9-11-6-7-12-4-2-3-5-13(12)8-11/h2-8H,9-10H2,1H3,(H,18,19)
InChIKeyHLVFAZVIIBLHJX-UHFFFAOYSA-N
XLogP1.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetic acid
CID 61021983
N-(2-aminoethyl)-N-methyl-2-naphthalen-2-ylacetamide
CID 55149469
N-(2-bromoethyl)-N-methyl-2-naphthalen-2-ylacetamide
CID 80658951
N-(1-hydroxypropan-2-yl)-N-methyl-2-naphthalen-2-ylacetamide
CID 115765000
2-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]acetic acid
CID 43239744
2-naphthalen-2-ylacetic acid;hydrate
CID 141284527
CID 173442082
CID 173442082
2-methyl-2-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoic acid
CID 62817552
N-[(2-bromophenyl)methyl]-N-methyl-2-naphthalen-2-ylacetamide
CID 34866908
N,N-dibenzyl-2-naphthalen-2-ylacetamide
CID 16849652
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]-methylamino]acetic acid
CID 82486581
methyl 3-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoate
CID 61031185

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-naphthalen-2-ylacetyl)amino]acetic acid?
The IUPAC name of 2-[methyl-(2-naphthalen-2-ylacetyl)amino]acetic acid (CID 18071237) is 2-[methyl-(2-naphthalen-2-ylacetyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(2-naphthalen-2-ylacetyl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(2-naphthalen-2-ylacetyl)amino]acetic acid is CN(CC(=O)O)C(=O)Cc1ccc2ccccc2c1.
What is the InChIKey of 2-[methyl-(2-naphthalen-2-ylacetyl)amino]acetic acid?
The InChIKey is HLVFAZVIIBLHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-16(10-15(18)19)14(17)9-11-6-7-12-4-2-3-5-13(12)8-11/h2-8H,9-10H2,1H3,(H,18,19).
What are the key properties of 2-[methyl-(2-naphthalen-2-ylacetyl)amino]acetic acid?
2-[methyl-(2-naphthalen-2-ylacetyl)amino]acetic acid has a molecular weight of 257.29 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-naphthalen-2-ylacetyl)amino]acetic acid is sourced from PubChem (CID 18071237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).