2-[(2-fluoro-4-hydroxybenzoyl)-propylamino]acetic acid

C12H14FNO4 — CID 107674770

IUPAC2-[(2-fluoro-4-hydroxybenzoyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1ccc(O)cc1F
InChIInChI=1S/C12H14FNO4/c1-2-5-14(7-11(16)17)12(18)9-4-3-8(15)6-10(9)13/h3-4,6,15H,2,5,7H2,1H3,(H,16,17)
InChIKeyWUAMCQFCENFWNO-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.47
Rot. Bonds5

About 2-[(2-fluoro-4-hydroxybenzoyl)-propylamino]acetic acid

2-[(2-fluoro-4-hydroxybenzoyl)-propylamino]acetic acid (PubChem CID 107674770) has the molecular formula C12H14FNO4 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-[(2-fluoro-4-hydroxybenzoyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-fluoro-4-hydroxybenzoyl)-propylamino]acetic acid
PubChem CID107674770
Molecular FormulaC12H14FNO4
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name2-[(2-fluoro-4-hydroxybenzoyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1ccc(O)cc1F
InChIInChI=1S/C12H14FNO4/c1-2-5-14(7-11(16)17)12(18)9-4-3-8(15)6-10(9)13/h3-4,6,15H,2,5,7H2,1H3,(H,16,17)
InChIKeyWUAMCQFCENFWNO-UHFFFAOYSA-N
XLogP1.47
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-fluoro-4-hydroxy-N-propylbenzamide
CID 104929967
3-[ethyl-(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid
CID 107674771
N-(2-chloroethyl)-N-ethyl-2-fluoro-4-hydroxybenzamide
CID 107677539
2-[(2-chloro-4,5-difluorobenzoyl)-propylamino]acetic acid
CID 61007189
N-(3-bromopropyl)-N-ethyl-2-fluoro-4-hydroxybenzamide
CID 107677720
2-[(2,4-difluoro-5-nitrobenzoyl)-propylamino]acetic acid
CID 61012887
2-[(2,6-difluorobenzoyl)-propylamino]acetic acid
CID 61011405
2-[(2-hydroxy-5-methylbenzoyl)-propylamino]acetic acid
CID 61011942
N-ethyl-2-fluoro-4-methyl-N-propylbenzamide
CID 79779356
2-[(2,4-difluorobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 62034804
2-[(4-chloro-3-fluorobenzoyl)-propylamino]acetic acid
CID 106703257
2-[(4-amino-2-fluorobenzoyl)-(carboxymethyl)amino]acetic acid
CID 107794503

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-4-hydroxybenzoyl)-propylamino]acetic acid?
The IUPAC name of 2-[(2-fluoro-4-hydroxybenzoyl)-propylamino]acetic acid (CID 107674770) is 2-[(2-fluoro-4-hydroxybenzoyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(2-fluoro-4-hydroxybenzoyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(2-fluoro-4-hydroxybenzoyl)-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)c1ccc(O)cc1F.
What is the InChIKey of 2-[(2-fluoro-4-hydroxybenzoyl)-propylamino]acetic acid?
The InChIKey is WUAMCQFCENFWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4/c1-2-5-14(7-11(16)17)12(18)9-4-3-8(15)6-10(9)13/h3-4,6,15H,2,5,7H2,1H3,(H,16,17).
What are the key properties of 2-[(2-fluoro-4-hydroxybenzoyl)-propylamino]acetic acid?
2-[(2-fluoro-4-hydroxybenzoyl)-propylamino]acetic acid has a molecular weight of 255.24 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-4-hydroxybenzoyl)-propylamino]acetic acid is sourced from PubChem (CID 107674770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).