(2R)-1-[(4-iodophenyl)carbamoyl]pyrrolidine-2-carboxylic acid

C12H13IN2O3 — CID 55149678

IUPAC(2R)-1-[(4-iodophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C12H13IN2O3/c13-8-3-5-9(6-4-8)14-12(18)15-7-1-2-10(15)11(16)17/h3-6,10H,1-2,7H2,(H,14,18)(H,16,17)/t10-/m1/s1
InChIKeyAHUGQJRXKBSGHA-SNVBAGLBSA-N
MW360.15 g/mol
LogP2.37
Rot. Bonds2

About (2R)-1-[(4-iodophenyl)carbamoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[(4-iodophenyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 55149678) has the molecular formula C12H13IN2O3 and a molecular weight of 360.15 g/mol. Its IUPAC name is (2R)-1-[(4-iodophenyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(4-iodophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID55149678
Molecular FormulaC12H13IN2O3
Molecular Weight360.15 g/mol
Exact Mass360.00
IUPAC Name(2R)-1-[(4-iodophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C12H13IN2O3/c13-8-3-5-9(6-4-8)14-12(18)15-7-1-2-10(15)11(16)17/h3-6,10H,1-2,7H2,(H,14,18)(H,16,17)/t10-/m1/s1
InChIKeyAHUGQJRXKBSGHA-SNVBAGLBSA-N
XLogP2.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.15
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[(4-iodophenyl)carbamoyl]azepane-2-carboxylic acid
CID 64561737
(2R)-1-[(3-iodo-4-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114257751
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
1-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 23607540
1-[(3,5-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61189559
(2S)-1-[(3,5-dimethylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 40639332
1-[(3-bromo-4-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 63334627
(2R)-1-[(3,4-dicyanophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 107792036
(2R)-1-[(4-bromo-3-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79006578
(2S)-1-[[4-(phenylsulfanylmethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 40877079

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-iodophenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(4-iodophenyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 55149678) is (2R)-1-[(4-iodophenyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(4-iodophenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(4-iodophenyl)carbamoyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)Nc1ccc(I)cc1.
What is the InChIKey of (2R)-1-[(4-iodophenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is AHUGQJRXKBSGHA-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13IN2O3/c13-8-3-5-9(6-4-8)14-12(18)15-7-1-2-10(15)11(16)17/h3-6,10H,1-2,7H2,(H,14,18)(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-1-[(4-iodophenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[(4-iodophenyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 360.15 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-iodophenyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 55149678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).