3-[(2-fluorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid

C12H14FNO4 — CID 82324750

IUPAC3-[(2-fluorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid
SMILESO=C(O)CCN(CCO)C(=O)c1ccccc1F
InChIInChI=1S/C12H14FNO4/c13-10-4-2-1-3-9(10)12(18)14(7-8-15)6-5-11(16)17/h1-4,15H,5-8H2,(H,16,17)
InChIKeyMEMRAKONDQTMQV-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.73
Rot. Bonds6

About 3-[(2-fluorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid

3-[(2-fluorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid (PubChem CID 82324750) has the molecular formula C12H14FNO4 and a molecular weight of 255.24 g/mol. Its IUPAC name is 3-[(2-fluorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2-fluorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid
PubChem CID82324750
Molecular FormulaC12H14FNO4
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name3-[(2-fluorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid
SMILESO=C(O)CCN(CCO)C(=O)c1ccccc1F
InChIInChI=1S/C12H14FNO4/c13-10-4-2-1-3-9(10)12(18)14(7-8-15)6-5-11(16)17/h1-4,15H,5-8H2,(H,16,17)
InChIKeyMEMRAKONDQTMQV-UHFFFAOYSA-N
XLogP0.73
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[carboxymethyl-(2-fluorobenzoyl)amino]propanoic acid
CID 82324752
3-[(2-chlorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid
CID 82325307
3-[2-hydroxyethyl-(2-methylbenzoyl)amino]propanoic acid
CID 82324584
3-[3-(dimethylamino)propyl-(2-fluorobenzoyl)amino]propanoic acid
CID 82324770
3-[cyclopropyl-(2-fluorobenzoyl)amino]propanoic acid
CID 54926357
5-chloro-2-fluoro-N,N-bis(2-hydroxyethyl)benzamide
CID 61145588
2,5-difluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 111122067
5-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 111122037
3-[carboxymethyl-(2-methylbenzoyl)amino]propanoic acid
CID 82324586
3-[2-hydroxyethyl(thiophene-2-carbonyl)amino]propanoic acid
CID 82324429
2-[(2-fluorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990578
2-fluoro-N-[2-[2-hydroxyethyl(propyl)amino]-2-oxoethyl]benzamide
CID 60656549

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid?
The IUPAC name of 3-[(2-fluorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid (CID 82324750) is 3-[(2-fluorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid.
What is the SMILES notation for 3-[(2-fluorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid?
The canonical SMILES for 3-[(2-fluorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid is O=C(O)CCN(CCO)C(=O)c1ccccc1F.
What is the InChIKey of 3-[(2-fluorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid?
The InChIKey is MEMRAKONDQTMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4/c13-10-4-2-1-3-9(10)12(18)14(7-8-15)6-5-11(16)17/h1-4,15H,5-8H2,(H,16,17).
What are the key properties of 3-[(2-fluorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid?
3-[(2-fluorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid has a molecular weight of 255.24 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid is sourced from PubChem (CID 82324750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).