methyl 2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-methylpentanoate

C14H18FNO4 — CID 104918520

IUPACmethyl 2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)c1c(O)cccc1F)C(=O)OC
InChIInChI=1S/C14H18FNO4/c1-4-8-14(2,13(19)20-3)16-12(18)11-9(15)6-5-7-10(11)17/h5-7,17H,4,8H2,1-3H3,(H,16,18)
InChIKeyBMRLRFZYZXLQQV-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.99
Rot. Bonds5

About methyl 2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-methylpentanoate

methyl 2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-methylpentanoate (PubChem CID 104918520) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is methyl 2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-methylpentanoate
PubChem CID104918520
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Namemethyl 2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)c1c(O)cccc1F)C(=O)OC
InChIInChI=1S/C14H18FNO4/c1-4-8-14(2,13(19)20-3)16-12(18)11-9(15)6-5-7-10(11)17/h5-7,17H,4,8H2,1-3H3,(H,16,18)
InChIKeyBMRLRFZYZXLQQV-UHFFFAOYSA-N
XLogP1.99
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-methylpentanoate?
The IUPAC name of methyl 2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-methylpentanoate (CID 104918520) is methyl 2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-methylpentanoate is CCCC(C)(NC(=O)c1c(O)cccc1F)C(=O)OC.
What is the InChIKey of methyl 2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-methylpentanoate?
The InChIKey is BMRLRFZYZXLQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-4-8-14(2,13(19)20-3)16-12(18)11-9(15)6-5-7-10(11)17/h5-7,17H,4,8H2,1-3H3,(H,16,18).
What are the key properties of methyl 2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-methylpentanoate?
methyl 2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-methylpentanoate has a molecular weight of 283.30 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-methylpentanoate is sourced from PubChem (CID 104918520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).