(2R)-1-[(3,4-dicyanophenyl)carbamoyl]pyrrolidine-2-carboxylic acid

C14H12N4O3 — CID 107792036

IUPAC(2R)-1-[(3,4-dicyanophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESN#Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)O)cc1C#N
InChIInChI=1S/C14H12N4O3/c15-7-9-3-4-11(6-10(9)8-16)17-14(21)18-5-1-2-12(18)13(19)20/h3-4,6,12H,1-2,5H2,(H,17,21)(H,19,20)/t12-/m1/s1
InChIKeyMWIJRYFBUQVQTR-GFCCVEGCSA-N
MW284.28 g/mol
LogP1.51
Rot. Bonds2

About (2R)-1-[(3,4-dicyanophenyl)carbamoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[(3,4-dicyanophenyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 107792036) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is (2R)-1-[(3,4-dicyanophenyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(3,4-dicyanophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID107792036
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Name(2R)-1-[(3,4-dicyanophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESN#Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)O)cc1C#N
InChIInChI=1S/C14H12N4O3/c15-7-9-3-4-11(6-10(9)8-16)17-14(21)18-5-1-2-12(18)13(19)20/h3-4,6,12H,1-2,5H2,(H,17,21)(H,19,20)/t12-/m1/s1
InChIKeyMWIJRYFBUQVQTR-GFCCVEGCSA-N
XLogP1.51
TPSA117.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(3-cyano-4-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 62316004
1-[(3,4-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61185440
(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
(2S)-1-[(4-bromo-2-cyanophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 82703835
(2R)-1-[(4-iodophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55149678
1-[(3-bromo-4-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 63334627
(2R)-1-[(3-iodo-4-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114257751
(2R)-1-[(4-bromo-3-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79006578
1-[(3-bromophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61191507
(2R)-1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 79034954
1-[(3,5-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61189559

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3,4-dicyanophenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(3,4-dicyanophenyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 107792036) is (2R)-1-[(3,4-dicyanophenyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(3,4-dicyanophenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(3,4-dicyanophenyl)carbamoyl]pyrrolidine-2-carboxylic acid is N#Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)O)cc1C#N.
What is the InChIKey of (2R)-1-[(3,4-dicyanophenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is MWIJRYFBUQVQTR-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H12N4O3/c15-7-9-3-4-11(6-10(9)8-16)17-14(21)18-5-1-2-12(18)13(19)20/h3-4,6,12H,1-2,5H2,(H,17,21)(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-1-[(3,4-dicyanophenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[(3,4-dicyanophenyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 284.28 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3,4-dicyanophenyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 107792036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).