4-methyl-3-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)pentanoic acid

C17H23NO3 — CID 107126365

IUPAC4-methyl-3-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)pentanoic acid
SMILESCC(C)C(CC(=O)O)NC(=O)C1CCc2ccccc2C1
InChIInChI=1S/C17H23NO3/c1-11(2)15(10-16(19)20)18-17(21)14-8-7-12-5-3-4-6-13(12)9-14/h3-6,11,14-15H,7-10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyNVOZUDGIGOCTNY-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.41
Rot. Bonds5

About 4-methyl-3-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)pentanoic acid

4-methyl-3-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)pentanoic acid (PubChem CID 107126365) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-methyl-3-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-3-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)pentanoic acid
PubChem CID107126365
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name4-methyl-3-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)pentanoic acid
SMILESCC(C)C(CC(=O)O)NC(=O)C1CCc2ccccc2C1
InChIInChI=1S/C17H23NO3/c1-11(2)15(10-16(19)20)18-17(21)14-8-7-12-5-3-4-6-13(12)9-14/h3-6,11,14-15H,7-10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyNVOZUDGIGOCTNY-UHFFFAOYSA-N
XLogP2.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1H-indene-2-carbonylamino)-4-methylpentanoic acid
CID 106892468
N-(1-hydroxy-4-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 106352920
(2S)-3,3-dimethyl-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)butanoic acid
CID 107126261
N-(5-aminopentan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127829
N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 154865257
(2R)-3-phenyl-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)propanoic acid
CID 14557388
methyl (2S)-3-phenyl-2-[[(2S)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]propanoate
CID 143932319
(2R)-4-methylsulfanyl-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)butanoic acid
CID 107126374
ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 143214414
N-(1-aminopentan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127262
1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
CID 67808987
N-(1-bromo-3-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 114155231

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)pentanoic acid?
The IUPAC name of 4-methyl-3-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)pentanoic acid (CID 107126365) is 4-methyl-3-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-3-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)pentanoic acid?
The canonical SMILES for 4-methyl-3-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)pentanoic acid is CC(C)C(CC(=O)O)NC(=O)C1CCc2ccccc2C1.
What is the InChIKey of 4-methyl-3-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)pentanoic acid?
The InChIKey is NVOZUDGIGOCTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-11(2)15(10-16(19)20)18-17(21)14-8-7-12-5-3-4-6-13(12)9-14/h3-6,11,14-15H,7-10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 4-methyl-3-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)pentanoic acid?
4-methyl-3-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)pentanoic acid has a molecular weight of 289.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)pentanoic acid is sourced from PubChem (CID 107126365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).