1-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride

C15H20ClFN2O3 — CID 119904101

IUPAC1-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride
SMILESCc1ccc(F)cc1NC(=O)C(C)N1CCC(C(=O)O)C1.Cl
InChIInChI=1S/C15H19FN2O3.ClH/c1-9-3-4-12(16)7-13(9)17-14(19)10(2)18-6-5-11(8-18)15(20)21;/h3-4,7,10-11H,5-6,8H2,1-2H3,(H,17,19)(H,20,21);1H
InChIKeyZDIRVHZSERMWJL-UHFFFAOYSA-N
MW330.79 g/mol
LogP2.29
Rot. Bonds4

About 1-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride

1-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride (PubChem CID 119904101) has the molecular formula C15H20ClFN2O3 and a molecular weight of 330.79 g/mol. Its IUPAC name is 1-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride
PubChem CID119904101
Molecular FormulaC15H20ClFN2O3
Molecular Weight330.79 g/mol
Exact Mass330.11
IUPAC Name1-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride
SMILESCc1ccc(F)cc1NC(=O)C(C)N1CCC(C(=O)O)C1.Cl
InChIInChI=1S/C15H19FN2O3.ClH/c1-9-3-4-12(16)7-13(9)17-14(19)10(2)18-6-5-11(8-18)15(20)21;/h3-4,7,10-11H,5-6,8H2,1-2H3,(H,17,19)(H,20,21);1H
InChIKeyZDIRVHZSERMWJL-UHFFFAOYSA-N
XLogP2.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride 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

1-[1-(2,5-difluoroanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 119905072
1-[1-(3-fluoroanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904283
1-[1-(5-chloro-2-fluoroanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904238
N-(5-fluoro-2-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111114110
1-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119908247
(3S,4S)-1-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120954280
N-(5-chloro-2-hydroxyphenyl)-1-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 60511702
1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 119904868
1-[1-(2-bromoanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 119904097
1-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904873
1-[1-(2,4-difluorophenyl)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904479
N-(5-amino-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62941496

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride (CID 119904101) is 1-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride is Cc1ccc(F)cc1NC(=O)C(C)N1CCC(C(=O)O)C1.Cl.
What is the InChIKey of 1-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride?
The InChIKey is ZDIRVHZSERMWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3.ClH/c1-9-3-4-12(16)7-13(9)17-14(19)10(2)18-6-5-11(8-18)15(20)21;/h3-4,7,10-11H,5-6,8H2,1-2H3,(H,17,19)(H,20,21);1H.
What are the key properties of 1-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride?
1-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride has a molecular weight of 330.79 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 119904101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).