1-[2-[fluoro(3-phenoxypropyl)amino]acetyl]-5-methylpyrrolidine-2-carboxylic acid

C17H23FN2O4 — CID 170963361

IUPAC1-[2-[fluoro(3-phenoxypropyl)amino]acetyl]-5-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCC(C(=O)O)N1C(=O)CN(F)CCCOc1ccccc1
InChIInChI=1S/C17H23FN2O4/c1-13-8-9-15(17(22)23)20(13)16(21)12-19(18)10-5-11-24-14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12H2,1H3,(H,22,23)
InChIKeyRBLKUVZQSNMNBE-UHFFFAOYSA-N
MW338.38 g/mol
LogP2.11
Rot. Bonds8

About 1-[2-[fluoro(3-phenoxypropyl)amino]acetyl]-5-methylpyrrolidine-2-carboxylic acid

1-[2-[fluoro(3-phenoxypropyl)amino]acetyl]-5-methylpyrrolidine-2-carboxylic acid (PubChem CID 170963361) has the molecular formula C17H23FN2O4 and a molecular weight of 338.38 g/mol. Its IUPAC name is 1-[2-[fluoro(3-phenoxypropyl)amino]acetyl]-5-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[fluoro(3-phenoxypropyl)amino]acetyl]-5-methylpyrrolidine-2-carboxylic acid
PubChem CID170963361
Molecular FormulaC17H23FN2O4
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC Name1-[2-[fluoro(3-phenoxypropyl)amino]acetyl]-5-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCC(C(=O)O)N1C(=O)CN(F)CCCOc1ccccc1
InChIInChI=1S/C17H23FN2O4/c1-13-8-9-15(17(22)23)20(13)16(21)12-19(18)10-5-11-24-14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12H2,1H3,(H,22,23)
InChIKeyRBLKUVZQSNMNBE-UHFFFAOYSA-N
XLogP2.11
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze 1-[2-[fluoro(3-phenoxypropyl)amino]acetyl]-5-methylpyrrolidine-2-carboxylic 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-methyl-3-(4-phenoxybutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792319
4-[methyl(3-phenoxypropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672844
2,5-dimethyl-1-(3-phenoxypropyl)pyrrolidine
CID 123293615
2-[carboxymethyl(3-phenoxypropyl)amino]acetic acid
CID 63644970
5-methyl-1-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 122121400
N-methyl-N-(3-phenoxypropyl)acetamide
CID 60757278
1-(3-phenoxypropanoyl)azepane-2-carboxylic acid
CID 64559753
1-(5-phenoxypentyl)piperidine-2-carboxylic acid
CID 122040490
1-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119903953
2-ethyl-3-(3-phenoxypropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63790936
2-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-phenoxypropyl)acetamide
CID 60501458
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-4-phenoxybutan-1-one
CID 27473703

Frequently Asked Questions

What is the IUPAC name of 1-[2-[fluoro(3-phenoxypropyl)amino]acetyl]-5-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-[fluoro(3-phenoxypropyl)amino]acetyl]-5-methylpyrrolidine-2-carboxylic acid (CID 170963361) is 1-[2-[fluoro(3-phenoxypropyl)amino]acetyl]-5-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[fluoro(3-phenoxypropyl)amino]acetyl]-5-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[fluoro(3-phenoxypropyl)amino]acetyl]-5-methylpyrrolidine-2-carboxylic acid is CC1CCC(C(=O)O)N1C(=O)CN(F)CCCOc1ccccc1.
What is the InChIKey of 1-[2-[fluoro(3-phenoxypropyl)amino]acetyl]-5-methylpyrrolidine-2-carboxylic acid?
The InChIKey is RBLKUVZQSNMNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O4/c1-13-8-9-15(17(22)23)20(13)16(21)12-19(18)10-5-11-24-14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12H2,1H3,(H,22,23).
What are the key properties of 1-[2-[fluoro(3-phenoxypropyl)amino]acetyl]-5-methylpyrrolidine-2-carboxylic acid?
1-[2-[fluoro(3-phenoxypropyl)amino]acetyl]-5-methylpyrrolidine-2-carboxylic acid has a molecular weight of 338.38 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[fluoro(3-phenoxypropyl)amino]acetyl]-5-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 170963361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).