2-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]acetic acid

C15H19NO3 — CID 43239744

IUPAC2-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C15H19NO3/c1-16(10-15(18)19)14(17)9-11-6-7-12-4-2-3-5-13(12)8-11/h6-8H,2-5,9-10H2,1H3,(H,18,19)
InChIKeySCWUXAAFZLFPEM-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.65
Rot. Bonds4

About 2-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]acetic acid

2-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]acetic acid (PubChem CID 43239744) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]acetic acid
PubChem CID43239744
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C15H19NO3/c1-16(10-15(18)19)14(17)9-11-6-7-12-4-2-3-5-13(12)8-11/h6-8H,2-5,9-10H2,1H3,(H,18,19)
InChIKeySCWUXAAFZLFPEM-UHFFFAOYSA-N
XLogP1.65
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid
CID 60989072
4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-methylamino]butanoic acid
CID 43240409
2-[methyl-(2-naphthalen-2-ylacetyl)amino]acetic acid
CID 18071237
2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-(4-phenylbutyl)acetamide
CID 112837369
2-(2,3-dihydro-1H-inden-5-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 112548127
N-[2-(2-hydroxyphenyl)ethyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 75454981
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 8637936
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]-methylamino]acetic acid
CID 82486581
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 8621105
2-[propyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]acetic acid
CID 122040027
3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190719
2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide
CID 112822520

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]acetic acid (CID 43239744) is 2-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]acetic acid is CN(CC(=O)O)C(=O)Cc1ccc2c(c1)CCCC2.
What is the InChIKey of 2-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]acetic acid?
The InChIKey is SCWUXAAFZLFPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-16(10-15(18)19)14(17)9-11-6-7-12-4-2-3-5-13(12)8-11/h6-8H,2-5,9-10H2,1H3,(H,18,19).
What are the key properties of 2-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]acetic acid?
2-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]acetic acid has a molecular weight of 261.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 43239744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).