methyl (2R)-2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylbutanoate

C17H18FNO4 — CID 58370191

IUPACmethyl (2R)-2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylbutanoate
SMILESCC[C@@](C)(NC(=O)c1cc(F)c2ccccc2c1O)C(=O)OC
InChIInChI=1S/C17H18FNO4/c1-4-17(2,16(22)23-3)19-15(21)12-9-13(18)10-7-5-6-8-11(10)14(12)20/h5-9,20H,4H2,1-3H3,(H,19,21)/t17-/m1/s1
InChIKeyPJRBGMKXRNHBJI-QGZVFWFLSA-N
MW319.33 g/mol
LogP2.76
Rot. Bonds4

About methyl (2R)-2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylbutanoate

methyl (2R)-2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylbutanoate (PubChem CID 58370191) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is methyl (2R)-2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylbutanoate
PubChem CID58370191
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Namemethyl (2R)-2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylbutanoate
SMILESCC[C@@](C)(NC(=O)c1cc(F)c2ccccc2c1O)C(=O)OC
InChIInChI=1S/C17H18FNO4/c1-4-17(2,16(22)23-3)19-15(21)12-9-13(18)10-7-5-6-8-11(10)14(12)20/h5-9,20H,4H2,1-3H3,(H,19,21)/t17-/m1/s1
InChIKeyPJRBGMKXRNHBJI-QGZVFWFLSA-N
XLogP2.76
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylbutanoate?
The IUPAC name of methyl (2R)-2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylbutanoate (CID 58370191) is methyl (2R)-2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylbutanoate.
What is the SMILES notation for methyl (2R)-2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylbutanoate?
The canonical SMILES for methyl (2R)-2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylbutanoate is CC[C@@](C)(NC(=O)c1cc(F)c2ccccc2c1O)C(=O)OC.
What is the InChIKey of methyl (2R)-2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylbutanoate?
The InChIKey is PJRBGMKXRNHBJI-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18FNO4/c1-4-17(2,16(22)23-3)19-15(21)12-9-13(18)10-7-5-6-8-11(10)14(12)20/h5-9,20H,4H2,1-3H3,(H,19,21)/t17-/m1/s1.
What are the key properties of methyl (2R)-2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylbutanoate?
methyl (2R)-2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylbutanoate has a molecular weight of 319.33 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(4-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylbutanoate is sourced from PubChem (CID 58370191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).