3-fluoro-2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2-methylbutanoic acid

C16H16FNO4 — CID 174532399

IUPAC3-fluoro-2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2-methylbutanoic acid
SMILESCC(F)C(C)(NC(=O)c1ccc2ccccc2c1O)C(=O)O
InChIInChI=1S/C16H16FNO4/c1-9(17)16(2,15(21)22)18-14(20)12-8-7-10-5-3-4-6-11(10)13(12)19/h3-9,19H,1-2H3,(H,18,20)(H,21,22)
InChIKeySFXCZQTUZJFMAP-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.48
Rot. Bonds4

About 3-fluoro-2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2-methylbutanoic acid

3-fluoro-2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2-methylbutanoic acid (PubChem CID 174532399) has the molecular formula C16H16FNO4 and a molecular weight of 305.30 g/mol. Its IUPAC name is 3-fluoro-2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name3-fluoro-2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2-methylbutanoic acid
PubChem CID174532399
Molecular FormulaC16H16FNO4
Molecular Weight305.30 g/mol
Exact Mass305.11
IUPAC Name3-fluoro-2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2-methylbutanoic acid
SMILESCC(F)C(C)(NC(=O)c1ccc2ccccc2c1O)C(=O)O
InChIInChI=1S/C16H16FNO4/c1-9(17)16(2,15(21)22)18-14(20)12-8-7-10-5-3-4-6-11(10)13(12)19/h3-9,19H,1-2H3,(H,18,20)(H,21,22)
InChIKeySFXCZQTUZJFMAP-UHFFFAOYSA-N
XLogP2.48
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2,3-dimethylbutanoic acid
CID 150097816
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-hydroxynaphthalene-2-carboxamide
CID 61121224
1-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)naphthalene-2-carboxamide
CID 103726312
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
1-hydroxy-N-(5-hydroxy-4-methylpentyl)naphthalene-2-carboxamide
CID 103864730
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

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2-methylbutanoic acid?
The IUPAC name of 3-fluoro-2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2-methylbutanoic acid (CID 174532399) is 3-fluoro-2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 3-fluoro-2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 3-fluoro-2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2-methylbutanoic acid is CC(F)C(C)(NC(=O)c1ccc2ccccc2c1O)C(=O)O.
What is the InChIKey of 3-fluoro-2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2-methylbutanoic acid?
The InChIKey is SFXCZQTUZJFMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4/c1-9(17)16(2,15(21)22)18-14(20)12-8-7-10-5-3-4-6-11(10)13(12)19/h3-9,19H,1-2H3,(H,18,20)(H,21,22).
What are the key properties of 3-fluoro-2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2-methylbutanoic acid?
3-fluoro-2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2-methylbutanoic acid has a molecular weight of 305.30 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 174532399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).