2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2,3-dimethylbutanoic acid

C17H19NO4 — CID 150097816

IUPAC2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2,3-dimethylbutanoic acid
SMILESCC(C)C(C)(NC(=O)c1ccc2ccccc2c1O)C(=O)O
InChIInChI=1S/C17H19NO4/c1-10(2)17(3,16(21)22)18-15(20)13-9-8-11-6-4-5-7-12(11)14(13)19/h4-10,19H,1-3H3,(H,18,20)(H,21,22)
InChIKeyDUPKEXSXKJRMOJ-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.77
Rot. Bonds4

About 2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2,3-dimethylbutanoic acid

2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2,3-dimethylbutanoic acid (PubChem CID 150097816) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2,3-dimethylbutanoic acid
PubChem CID150097816
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2,3-dimethylbutanoic acid
SMILESCC(C)C(C)(NC(=O)c1ccc2ccccc2c1O)C(=O)O
InChIInChI=1S/C17H19NO4/c1-10(2)17(3,16(21)22)18-15(20)13-9-8-11-6-4-5-7-12(11)14(13)19/h4-10,19H,1-3H3,(H,18,20)(H,21,22)
InChIKeyDUPKEXSXKJRMOJ-UHFFFAOYSA-N
XLogP2.77
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2-methylbutanoic acid
CID 174532399
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-hydroxynaphthalene-2-carboxamide
CID 61121224
2,3-dimethyl-2-(3-naphthalen-1-ylprop-2-enoylamino)butanoic acid
CID 126802811
2-[(1-hydroxynaphthalene-2-carbonyl)amino]butanoic acid
CID 43469598
2-[(1-bromonaphthalene-2-carbonyl)amino]-2-methylbutanoic acid
CID 174546235
N-(1-bromo-3-methylbutan-2-yl)-1-hydroxynaphthalene-2-carboxamide
CID 114315986
2-methyl-2-[[1-[(2R)-1-phenoxypropan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid
CID 24769568
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium
CID 174557605
2-methyl-2-(naphthalene-1-carbonylamino)butanoic acid
CID 79792523
1-hydroxy-N-(4-hydroxy-2-methylpentyl)naphthalene-2-carboxamide
CID 111697244
N-(2-acetamidophenyl)-1-hydroxynaphthalene-2-carboxamide
CID 5133649
N-(benzylideneamino)-1-hydroxynaphthalene-2-carboxamide
CID 4115727

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2,3-dimethylbutanoic acid?
The IUPAC name of 2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2,3-dimethylbutanoic acid (CID 150097816) is 2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2,3-dimethylbutanoic acid?
The canonical SMILES for 2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2,3-dimethylbutanoic acid is CC(C)C(C)(NC(=O)c1ccc2ccccc2c1O)C(=O)O.
What is the InChIKey of 2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2,3-dimethylbutanoic acid?
The InChIKey is DUPKEXSXKJRMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-10(2)17(3,16(21)22)18-15(20)13-9-8-11-6-4-5-7-12(11)14(13)19/h4-10,19H,1-3H3,(H,18,20)(H,21,22).
What are the key properties of 2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2,3-dimethylbutanoic acid?
2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2,3-dimethylbutanoic acid has a molecular weight of 301.34 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2,3-dimethylbutanoic acid is sourced from PubChem (CID 150097816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).