3,3-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid

C17H23NO3 — CID 43467734

IUPAC3,3-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid
SMILESCC(C)(C)C(NC(=O)c1ccc2c(c1)CCCC2)C(=O)O
InChIInChI=1S/C17H23NO3/c1-17(2,3)14(16(20)21)18-15(19)13-9-8-11-6-4-5-7-12(11)10-13/h8-10,14H,4-7H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyDSYFGBDAYLZZDJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.79
Rot. Bonds3

About 3,3-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid

3,3-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid (PubChem CID 43467734) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3,3-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid
PubChem CID43467734
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name3,3-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid
SMILESCC(C)(C)C(NC(=O)c1ccc2c(c1)CCCC2)C(=O)O
InChIInChI=1S/C17H23NO3/c1-17(2,3)14(16(20)21)18-15(19)13-9-8-11-6-4-5-7-12(11)10-13/h8-10,14H,4-7H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyDSYFGBDAYLZZDJ-UHFFFAOYSA-N
XLogP2.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-3,3-dimethylbutanoic acid
CID 103870959
2-[(3-amino-4-bromobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 107812985
(2S)-2-[(4-amino-3-methylbenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61161701
3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid
CID 43240739
(2R)-4-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pentanoic acid
CID 78975834
N-[(2S)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 170036707
N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95358601
methyl (2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoate
CID 51681667
2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-3,3-dimethylbutanoic acid
CID 43467794
(2R)-2-[(4-bromo-3-hydroxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 114103357
(2S)-2-[(4-fluoro-3-methylbenzoyl)amino]-3,3-dimethylbutanoic acid
CID 55163831
(2S)-2-(2,3-dihydro-1H-indene-5-carbonylamino)butanedioic acid
CID 112732992

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid?
The IUPAC name of 3,3-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid (CID 43467734) is 3,3-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid.
What is the SMILES notation for 3,3-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid?
The canonical SMILES for 3,3-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid is CC(C)(C)C(NC(=O)c1ccc2c(c1)CCCC2)C(=O)O.
What is the InChIKey of 3,3-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid?
The InChIKey is DSYFGBDAYLZZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-17(2,3)14(16(20)21)18-15(19)13-9-8-11-6-4-5-7-12(11)10-13/h8-10,14H,4-7H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 3,3-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid?
3,3-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid has a molecular weight of 289.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid is sourced from PubChem (CID 43467734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).