2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetic acid

C13H16FNO3 — CID 61011390

IUPAC2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)Cc1ccccc1F
InChIInChI=1S/C13H16FNO3/c1-2-7-15(9-13(17)18)12(16)8-10-5-3-4-6-11(10)14/h3-6H,2,7-9H2,1H3,(H,17,18)
InChIKeyKVLVRLBPRWIGQR-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.69
Rot. Bonds6

About 2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetic acid

2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetic acid (PubChem CID 61011390) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetic acid
PubChem CID61011390
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)Cc1ccccc1F
InChIInChI=1S/C13H16FNO3/c1-2-7-15(9-13(17)18)12(16)8-10-5-3-4-6-11(10)14/h3-6H,2,7-9H2,1H3,(H,17,18)
InChIKeyKVLVRLBPRWIGQR-UHFFFAOYSA-N
XLogP1.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[2-(2-fluorophenyl)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

methyl 2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetate
CID 55005808
2-[[2-(2-nitrophenyl)acetyl]-propylamino]acetic acid
CID 61012209
N-butyl-N-ethyl-2-(2-fluorophenyl)acetamide
CID 86976336
2-[(2,6-difluorobenzoyl)-propylamino]acetic acid
CID 61011405
N-(2-aminoethyl)-N-butyl-2-(2-fluorophenyl)acetamide
CID 63756056
2-(2-methylphenyl)-N,N-dipropylacetamide
CID 86977350
2-chloro-N-[(2-fluorophenyl)methyl]-N-propylacetamide
CID 39347931
2-[3-(2-bromophenyl)propanoyl-propylamino]acetic acid
CID 119204843
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
2-(2-hydroxyphenyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide
CID 78916891
2-[(2-fluorophenyl)methylamino]-N,N-dipropylacetamide
CID 108997535
2-[(2,6-difluorophenyl)carbamoyl-propylamino]acetic acid
CID 61195377

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetic acid?
The IUPAC name of 2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetic acid (CID 61011390) is 2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)Cc1ccccc1F.
What is the InChIKey of 2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetic acid?
The InChIKey is KVLVRLBPRWIGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-2-7-15(9-13(17)18)12(16)8-10-5-3-4-6-11(10)14/h3-6H,2,7-9H2,1H3,(H,17,18).
What are the key properties of 2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetic acid?
2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetic acid has a molecular weight of 253.27 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetic acid is sourced from PubChem (CID 61011390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).