(2R)-1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid

C13H15FN2O4 — CID 104979945

IUPAC(2R)-1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCOc1cc(NC(=O)N2CCC[C@@H]2C(=O)O)ccc1F
InChIInChI=1S/C13H15FN2O4/c1-20-11-7-8(4-5-9(11)14)15-13(19)16-6-2-3-10(16)12(17)18/h4-5,7,10H,2-3,6H2,1H3,(H,15,19)(H,17,18)/t10-/m1/s1
InChIKeyIAJOASISMPXPSP-SNVBAGLBSA-N
MW282.27 g/mol
LogP1.92
Rot. Bonds3

About (2R)-1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 104979945) has the molecular formula C13H15FN2O4 and a molecular weight of 282.27 g/mol. Its IUPAC name is (2R)-1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID104979945
Molecular FormulaC13H15FN2O4
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name(2R)-1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCOc1cc(NC(=O)N2CCC[C@@H]2C(=O)O)ccc1F
InChIInChI=1S/C13H15FN2O4/c1-20-11-7-8(4-5-9(11)14)15-13(19)16-6-2-3-10(16)12(17)18/h4-5,7,10H,2-3,6H2,1H3,(H,15,19)(H,17,18)/t10-/m1/s1
InChIKeyIAJOASISMPXPSP-SNVBAGLBSA-N
XLogP1.92
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61185440
(2S)-1-[(4-bromo-3-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 82859934
2-[1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 114840396
1-[(3-chloro-4-methoxyphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61182045
(2R)-1-(4-fluoro-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 81283582
(2R)-1-[(4-bromo-3-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79006578
(2S)-1-[(3-cyano-4-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 62316004
(2R)-N-(4-fluoro-3-methoxyphenyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 124619097
N-(4-fluoro-3-methoxyphenyl)azepane-1-carboxamide
CID 114839187
1-[(3,5-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61189559
(2S)-1-(2,3-dihydro-1H-inden-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61185659
(2S)-1-[(3,4-dichlorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61137254

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 104979945) is (2R)-1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is COc1cc(NC(=O)N2CCC[C@@H]2C(=O)O)ccc1F.
What is the InChIKey of (2R)-1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is IAJOASISMPXPSP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15FN2O4/c1-20-11-7-8(4-5-9(11)14)15-13(19)16-6-2-3-10(16)12(17)18/h4-5,7,10H,2-3,6H2,1H3,(H,15,19)(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 282.27 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 104979945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).