2-[butan-2-yl-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid

C17H25NO2 — CID 115420666

IUPAC2-[butan-2-yl-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C1CCC(C)c2ccccc21
InChIInChI=1S/C17H25NO2/c1-4-13(3)18(11-17(19)20)16-10-9-12(2)14-7-5-6-8-15(14)16/h5-8,12-13,16H,4,9-11H2,1-3H3,(H,19,20)
InChIKeyAWBVJLGGMZXPKD-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.81
Rot. Bonds5

About 2-[butan-2-yl-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid

2-[butan-2-yl-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid (PubChem CID 115420666) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-[butan-2-yl-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
PubChem CID115420666
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-[butan-2-yl-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C1CCC(C)c2ccccc21
InChIInChI=1S/C17H25NO2/c1-4-13(3)18(11-17(19)20)16-10-9-12(2)14-7-5-6-8-15(14)16/h5-8,12-13,16H,4,9-11H2,1-3H3,(H,19,20)
InChIKeyAWBVJLGGMZXPKD-UHFFFAOYSA-N
XLogP3.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butan-2-yl(2,3-dihydro-1H-inden-2-yl)amino]acetic acid
CID 65057984
2-[propan-2-yl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)amino]acetic acid
CID 65056941
2-[butan-2-yl-(2-hydroxycyclopentyl)amino]acetic acid
CID 60884187
2-[butan-2-yl-(1-methylpiperidin-4-yl)amino]acetic acid
CID 65062596
2-[butan-2-yl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid
CID 60834519
2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-propan-2-ylacetamide
CID 81302197
2-[1-(dimethylamino)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]acetic acid
CID 115420429
methyl (2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate
CID 115418277
1-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine
CID 115420847
2-[propyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 65064550
2-[1-(2-bromophenyl)ethyl-cyclopropylamino]acetic acid
CID 65057476
2-[butan-2-yl(3,4-dihydro-1H-isochromene-1-carbonyl)amino]acetic acid
CID 60984955

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid (CID 115420666) is 2-[butan-2-yl-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid is CCC(C)N(CC(=O)O)C1CCC(C)c2ccccc21.
What is the InChIKey of 2-[butan-2-yl-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid?
The InChIKey is AWBVJLGGMZXPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-13(3)18(11-17(19)20)16-10-9-12(2)14-7-5-6-8-15(14)16/h5-8,12-13,16H,4,9-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[butan-2-yl-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid?
2-[butan-2-yl-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid has a molecular weight of 275.39 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid is sourced from PubChem (CID 115420666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).