1-[(4-fluorophenyl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid

C14H17FN2O3 — CID 61413418

IUPAC1-[(4-fluorophenyl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCN(Cc1ccc(F)cc1)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C14H17FN2O3/c1-16(9-10-4-6-11(15)7-5-10)14(20)17-8-2-3-12(17)13(18)19/h4-7,12H,2-3,8-9H2,1H3,(H,18,19)
InChIKeyVBFCGTWSDVCGKT-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.93
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid

1-[(4-fluorophenyl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 61413418) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID61413418
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name1-[(4-fluorophenyl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCN(Cc1ccc(F)cc1)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C14H17FN2O3/c1-16(9-10-4-6-11(15)7-5-10)14(20)17-8-2-3-12(17)13(18)19/h4-7,12H,2-3,8-9H2,1H3,(H,18,19)
InChIKeyVBFCGTWSDVCGKT-UHFFFAOYSA-N
XLogP1.93
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(4-fluorophenyl)methyl-methylcarbamoyl]pyrrolidine-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

(2R)-1-[(4-fluorophenyl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922881
(2R)-1-[(4-chlorophenyl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922929
1-[benzyl(methyl)carbamoyl]piperidine-2-carboxylic acid
CID 61186390
1-[(3-fluorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid
CID 61200560
(2R)-1-[methyl(pyridin-3-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922741
(3S)-1-[(4-fluorophenyl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81117692
1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 16796004
1-[(5-bromothiophen-3-yl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 54986829
1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 61197519
1-[(3-chlorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid
CID 61416937
1-[(4-fluorophenyl)methyl-methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63032088
(2R)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55226778

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(4-fluorophenyl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 61413418) is 1-[(4-fluorophenyl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(4-fluorophenyl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid is CN(Cc1ccc(F)cc1)C(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[(4-fluorophenyl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is VBFCGTWSDVCGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-16(9-10-4-6-11(15)7-5-10)14(20)17-8-2-3-12(17)13(18)19/h4-7,12H,2-3,8-9H2,1H3,(H,18,19).
What are the key properties of 1-[(4-fluorophenyl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid?
1-[(4-fluorophenyl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 280.30 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61413418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).