2-methyl-2-[methyl-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid

C17H23NO3 — CID 119200234

IUPAC2-methyl-2-[methyl-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid
SMILESCN(C(=O)CC1CCc2ccccc2C1)C(C)(C)C(=O)O
InChIInChI=1S/C17H23NO3/c1-17(2,16(20)21)18(3)15(19)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-7,12H,8-11H2,1-3H3,(H,20,21)
InChIKeyQEHRHPFJRIENMB-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.50
Rot. Bonds4

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

2-methyl-2-[methyl-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid (PubChem CID 119200234) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid
PubChem CID119200234
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-methyl-2-[methyl-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid
SMILESCN(C(=O)CC1CCc2ccccc2C1)C(C)(C)C(=O)O
InChIInChI=1S/C17H23NO3/c1-17(2,16(20)21)18(3)15(19)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-7,12H,8-11H2,1-3H3,(H,20,21)
InChIKeyQEHRHPFJRIENMB-UHFFFAOYSA-N
XLogP2.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)-N-methyl-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;hydrochloride
CID 170897051
2-[(2-cyclopentylacetyl)-methylamino]-2-methylpropanoic acid
CID 62818628
N-methyl-N-pyrrolidin-3-yl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide;hydrochloride
CID 119553467
2-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]acetic acid
CID 129362346
2-methyl-2-[methyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid
CID 119200744
2-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylsulfanyl)propanoic acid
CID 154312707
2-methyl-2-[methyl-(2-phenylacetyl)amino]propanoic acid
CID 62818448
2-(7-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid
CID 82384252
2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 91831210
2-methyl-2-[methyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid
CID 119200753
N,N-dibenzyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 57205354
(2S)-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 15021263

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid (CID 119200234) is 2-methyl-2-[methyl-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid is CN(C(=O)CC1CCc2ccccc2C1)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid?
The InChIKey is QEHRHPFJRIENMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-17(2,16(20)21)18(3)15(19)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-7,12H,8-11H2,1-3H3,(H,20,21).
What are the key properties of 2-methyl-2-[methyl-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid?
2-methyl-2-[methyl-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid has a molecular weight of 289.38 g/mol, XLogP of 2.50, 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-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119200234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).