2-[[2-[(3-fluorobenzoyl)amino]acetyl]-propylamino]acetic acid

C14H17FN2O4 — CID 61011831

IUPAC2-[[2-[(3-fluorobenzoyl)amino]acetyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C14H17FN2O4/c1-2-6-17(9-13(19)20)12(18)8-16-14(21)10-4-3-5-11(15)7-10/h3-5,7H,2,6,8-9H2,1H3,(H,16,21)(H,19,20)
InChIKeyPVRPMIMIPLJRHV-UHFFFAOYSA-N
MW296.30 g/mol
LogP0.88
Rot. Bonds7

About 2-[[2-[(3-fluorobenzoyl)amino]acetyl]-propylamino]acetic acid

2-[[2-[(3-fluorobenzoyl)amino]acetyl]-propylamino]acetic acid (PubChem CID 61011831) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-[[2-[(3-fluorobenzoyl)amino]acetyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(3-fluorobenzoyl)amino]acetyl]-propylamino]acetic acid
PubChem CID61011831
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name2-[[2-[(3-fluorobenzoyl)amino]acetyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C14H17FN2O4/c1-2-6-17(9-13(19)20)12(18)8-16-14(21)10-4-3-5-11(15)7-10/h3-5,7H,2,6,8-9H2,1H3,(H,16,21)(H,19,20)
InChIKeyPVRPMIMIPLJRHV-UHFFFAOYSA-N
XLogP0.88
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[(3-fluorobenzoyl)amino]acetyl]-propylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,6-difluorobenzoyl)-propylamino]acetic acid
CID 61011405
3-fluoro-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide
CID 78783855
N-[2-(dipropylamino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 112995736
N-[2-[2-hydroxyethyl(propyl)amino]-2-oxoethyl]benzamide
CID 60656778
2-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-phenylethyl)amino]acetic acid
CID 119347441
2-[benzoyl(propyl)amino]acetic acid
CID 61011930
N-[2-oxo-2-[propyl(prop-2-ynyl)amino]ethyl]benzamide
CID 78992297
N-[2-(ethylamino)-2-oxoethyl]-3-fluorobenzamide
CID 60636583
3-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide
CID 107202420
N-benzyl-3-fluoro-N-propylbenzamide
CID 134028425
N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide
CID 78784679
1-N-(3-fluorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056649

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-fluorobenzoyl)amino]acetyl]-propylamino]acetic acid?
The IUPAC name of 2-[[2-[(3-fluorobenzoyl)amino]acetyl]-propylamino]acetic acid (CID 61011831) is 2-[[2-[(3-fluorobenzoyl)amino]acetyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[2-[(3-fluorobenzoyl)amino]acetyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[2-[(3-fluorobenzoyl)amino]acetyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)CNC(=O)c1cccc(F)c1.
What is the InChIKey of 2-[[2-[(3-fluorobenzoyl)amino]acetyl]-propylamino]acetic acid?
The InChIKey is PVRPMIMIPLJRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-2-6-17(9-13(19)20)12(18)8-16-14(21)10-4-3-5-11(15)7-10/h3-5,7H,2,6,8-9H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 2-[[2-[(3-fluorobenzoyl)amino]acetyl]-propylamino]acetic acid?
2-[[2-[(3-fluorobenzoyl)amino]acetyl]-propylamino]acetic acid has a molecular weight of 296.30 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-fluorobenzoyl)amino]acetyl]-propylamino]acetic acid is sourced from PubChem (CID 61011831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).