3-[(2-fluoro-6-methoxybenzoyl)-methylamino]propanoic acid

C12H14FNO4 — CID 65432056

IUPAC3-[(2-fluoro-6-methoxybenzoyl)-methylamino]propanoic acid
SMILESCOc1cccc(F)c1C(=O)N(C)CCC(=O)O
InChIInChI=1S/C12H14FNO4/c1-14(7-6-10(15)16)12(17)11-8(13)4-3-5-9(11)18-2/h3-5H,6-7H2,1-2H3,(H,15,16)
InChIKeyBVZXWLWIQOEOBZ-UHFFFAOYSA-N
MW255.25 g/mol
LogP1.38
Rot. Bonds5

About 3-[(2-fluoro-6-methoxybenzoyl)-methylamino]propanoic acid

3-[(2-fluoro-6-methoxybenzoyl)-methylamino]propanoic acid (PubChem CID 65432056) has the molecular formula C12H14FNO4 and a molecular weight of 255.25 g/mol. Its IUPAC name is 3-[(2-fluoro-6-methoxybenzoyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-fluoro-6-methoxybenzoyl)-methylamino]propanoic acid
PubChem CID65432056
Molecular FormulaC12H14FNO4
Molecular Weight255.25 g/mol
Exact Mass255.09
IUPAC Name3-[(2-fluoro-6-methoxybenzoyl)-methylamino]propanoic acid
SMILESCOc1cccc(F)c1C(=O)N(C)CCC(=O)O
InChIInChI=1S/C12H14FNO4/c1-14(7-6-10(15)16)12(17)11-8(13)4-3-5-9(11)18-2/h3-5H,6-7H2,1-2H3,(H,15,16)
InChIKeyBVZXWLWIQOEOBZ-UHFFFAOYSA-N
XLogP1.38
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluoro-6-methoxybenzoyl)-methylamino]acetic acid
CID 65432822
3-[tert-butyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid
CID 65434948
3-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid
CID 65434561
3-[(4-fluoro-3-methoxybenzoyl)-methylamino]propanoic acid
CID 81283720
2-[(2-fluoro-6-methoxybenzoyl)-propan-2-ylamino]acetic acid
CID 65434755
methyl 3-[(2-bromo-6-fluorobenzoyl)-methylamino]propanoate
CID 115681679
3-[[2-(2,6-dimethoxyphenyl)acetyl]-methylamino]propanoic acid
CID 119362723
N-(3-aminopropyl)-N-ethyl-2-fluoro-6-methoxybenzamide
CID 65434746
4-[(3,6-difluoro-2-methoxybenzoyl)-methylamino]butanoic acid
CID 119346965
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-6-methoxy-N-methylbenzamide
CID 115760198
3-[2-(2-fluorophenoxy)propanoyl-methylamino]propanoic acid
CID 60989857
5-[(2-fluoro-6-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 82010234

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-6-methoxybenzoyl)-methylamino]propanoic acid?
The IUPAC name of 3-[(2-fluoro-6-methoxybenzoyl)-methylamino]propanoic acid (CID 65432056) is 3-[(2-fluoro-6-methoxybenzoyl)-methylamino]propanoic acid.
What is the SMILES notation for 3-[(2-fluoro-6-methoxybenzoyl)-methylamino]propanoic acid?
The canonical SMILES for 3-[(2-fluoro-6-methoxybenzoyl)-methylamino]propanoic acid is COc1cccc(F)c1C(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[(2-fluoro-6-methoxybenzoyl)-methylamino]propanoic acid?
The InChIKey is BVZXWLWIQOEOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4/c1-14(7-6-10(15)16)12(17)11-8(13)4-3-5-9(11)18-2/h3-5H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 3-[(2-fluoro-6-methoxybenzoyl)-methylamino]propanoic acid?
3-[(2-fluoro-6-methoxybenzoyl)-methylamino]propanoic acid has a molecular weight of 255.25 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-6-methoxybenzoyl)-methylamino]propanoic acid is sourced from PubChem (CID 65432056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).