1-[(5-fluoro-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid

C11H12FN3O3 — CID 114254226

IUPAC1-[(5-fluoro-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)Nc1cncc(F)c1
InChIInChI=1S/C11H12FN3O3/c12-7-4-8(6-13-5-7)14-11(18)15-3-1-2-9(15)10(16)17/h4-6,9H,1-3H2,(H,14,18)(H,16,17)
InChIKeyMOZJJDXEYCQNDJ-UHFFFAOYSA-N
MW253.23 g/mol
LogP1.30
Rot. Bonds2

About 1-[(5-fluoro-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid

1-[(5-fluoro-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 114254226) has the molecular formula C11H12FN3O3 and a molecular weight of 253.23 g/mol. Its IUPAC name is 1-[(5-fluoro-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(5-fluoro-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID114254226
Molecular FormulaC11H12FN3O3
Molecular Weight253.23 g/mol
Exact Mass253.09
IUPAC Name1-[(5-fluoro-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)Nc1cncc(F)c1
InChIInChI=1S/C11H12FN3O3/c12-7-4-8(6-13-5-7)14-11(18)15-3-1-2-9(15)10(16)17/h4-6,9H,1-3H2,(H,14,18)(H,16,17)
InChIKeyMOZJJDXEYCQNDJ-UHFFFAOYSA-N
XLogP1.30
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,5-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61189559
4-[(5-fluoro-3-pyridinyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 114254248
1-[(3,4-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61185440
1-[(3-fluorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 54980760
1-[(3,5-dichloro-4-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 107576464
(2S)-1-[(3,5-dimethylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 40639332
(2S)-1-[(3,4-dichlorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61137254
1-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61199274
(2R)-1-[(4-bromo-3-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79006578
1-[(2,3,5-trifluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 62812905
1-[(3,5-dichloro-4-fluorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 107576495
5-[(2-carbamoylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157950

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(5-fluoro-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 114254226) is 1-[(5-fluoro-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(5-fluoro-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(5-fluoro-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)Nc1cncc(F)c1.
What is the InChIKey of 1-[(5-fluoro-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is MOZJJDXEYCQNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3/c12-7-4-8(6-13-5-7)14-11(18)15-3-1-2-9(15)10(16)17/h4-6,9H,1-3H2,(H,14,18)(H,16,17).
What are the key properties of 1-[(5-fluoro-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid?
1-[(5-fluoro-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 253.23 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114254226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).