2-[(6-methyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]acetic acid

C20H23NO2 — CID 70166753

IUPAC2-[(6-methyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]acetic acid
SMILESCc1ccc2c(c1)CCC(CNCC(=O)O)C2c1ccccc1
InChIInChI=1S/C20H23NO2/c1-14-7-10-18-16(11-14)8-9-17(12-21-13-19(22)23)20(18)15-5-3-2-4-6-15/h2-7,10-11,17,20-21H,8-9,12-13H2,1H3,(H,22,23)
InChIKeyNVLLONFTAOTMSB-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.36
Rot. Bonds5

About 2-[(6-methyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]acetic acid

2-[(6-methyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]acetic acid (PubChem CID 70166753) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[(6-methyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(6-methyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]acetic acid
PubChem CID70166753
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name2-[(6-methyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]acetic acid
SMILESCc1ccc2c(c1)CCC(CNCC(=O)O)C2c1ccccc1
InChIInChI=1S/C20H23NO2/c1-14-7-10-18-16(11-14)8-9-17(12-21-13-19(22)23)20(18)15-5-3-2-4-6-15/h2-7,10-11,17,20-21H,8-9,12-13H2,1H3,(H,22,23)
InChIKeyNVLLONFTAOTMSB-UHFFFAOYSA-N
XLogP3.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]acetic acid?
The IUPAC name of 2-[(6-methyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]acetic acid (CID 70166753) is 2-[(6-methyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]acetic acid.
What is the SMILES notation for 2-[(6-methyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]acetic acid?
The canonical SMILES for 2-[(6-methyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]acetic acid is Cc1ccc2c(c1)CCC(CNCC(=O)O)C2c1ccccc1.
What is the InChIKey of 2-[(6-methyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]acetic acid?
The InChIKey is NVLLONFTAOTMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-14-7-10-18-16(11-14)8-9-17(12-21-13-19(22)23)20(18)15-5-3-2-4-6-15/h2-7,10-11,17,20-21H,8-9,12-13H2,1H3,(H,22,23).
What are the key properties of 2-[(6-methyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]acetic acid?
2-[(6-methyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]acetic acid has a molecular weight of 309.41 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]acetic acid is sourced from PubChem (CID 70166753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).