methyl 3-[(2-fluoro-6-hydroxybenzoyl)amino]propanoate

C11H12FNO4 — CID 104916458

IUPACmethyl 3-[(2-fluoro-6-hydroxybenzoyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1c(O)cccc1F
InChIInChI=1S/C11H12FNO4/c1-17-9(15)5-6-13-11(16)10-7(12)3-2-4-8(10)14/h2-4,14H,5-6H2,1H3,(H,13,16)
InChIKeyKBOQDSVHGISRRX-UHFFFAOYSA-N
MW241.22 g/mol
LogP0.82
Rot. Bonds4

About methyl 3-[(2-fluoro-6-hydroxybenzoyl)amino]propanoate

methyl 3-[(2-fluoro-6-hydroxybenzoyl)amino]propanoate (PubChem CID 104916458) has the molecular formula C11H12FNO4 and a molecular weight of 241.22 g/mol. Its IUPAC name is methyl 3-[(2-fluoro-6-hydroxybenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-fluoro-6-hydroxybenzoyl)amino]propanoate
PubChem CID104916458
Molecular FormulaC11H12FNO4
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Namemethyl 3-[(2-fluoro-6-hydroxybenzoyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1c(O)cccc1F
InChIInChI=1S/C11H12FNO4/c1-17-9(15)5-6-13-11(16)10-7(12)3-2-4-8(10)14/h2-4,14H,5-6H2,1H3,(H,13,16)
InChIKeyKBOQDSVHGISRRX-UHFFFAOYSA-N
XLogP0.82
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(2-bromo-6-fluorobenzoyl)amino]propanoate
CID 115678601
N-(2-chloroethyl)-2-fluoro-6-hydroxybenzamide
CID 107016788
4-[(2-fluoro-6-hydroxybenzoyl)amino]butanoic acid
CID 107013328
2-fluoro-6-hydroxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 104916422
N-(3-ethoxypropyl)-2-fluoro-6-hydroxybenzamide
CID 104916529
N-(3-bromopropyl)-2-fluoro-6-hydroxybenzamide
CID 107016848
N-[2-(2-aminoethoxy)ethyl]-2-fluoro-6-hydroxybenzamide
CID 107017062
methyl 3-[(2-iodo-6-methylbenzoyl)amino]propanoate
CID 71968778
methyl 3-(2,6-difluoroanilino)propanoate
CID 43365450
2-fluoro-6-hydroxy-N-[(2R)-2-hydroxypropyl]benzamide
CID 104920570
2,6-dihydroxy-N-(2-methoxyethyl)benzamide
CID 103748859
methyl 2-[(2,6-dihydroxybenzoyl)amino]acetate
CID 103890198

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-fluoro-6-hydroxybenzoyl)amino]propanoate?
The IUPAC name of methyl 3-[(2-fluoro-6-hydroxybenzoyl)amino]propanoate (CID 104916458) is methyl 3-[(2-fluoro-6-hydroxybenzoyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2-fluoro-6-hydroxybenzoyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2-fluoro-6-hydroxybenzoyl)amino]propanoate is COC(=O)CCNC(=O)c1c(O)cccc1F.
What is the InChIKey of methyl 3-[(2-fluoro-6-hydroxybenzoyl)amino]propanoate?
The InChIKey is KBOQDSVHGISRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4/c1-17-9(15)5-6-13-11(16)10-7(12)3-2-4-8(10)14/h2-4,14H,5-6H2,1H3,(H,13,16).
What are the key properties of methyl 3-[(2-fluoro-6-hydroxybenzoyl)amino]propanoate?
methyl 3-[(2-fluoro-6-hydroxybenzoyl)amino]propanoate has a molecular weight of 241.22 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-fluoro-6-hydroxybenzoyl)amino]propanoate is sourced from PubChem (CID 104916458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).