1-(4-iodo-1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid

C10H11IN2O3 — CID 119353613

IUPAC1-(4-iodo-1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cc(I)c[nH]2)C1
InChIInChI=1S/C10H11IN2O3/c11-7-3-8(12-4-7)9(14)13-2-1-6(5-13)10(15)16/h3-4,6,12H,1-2,5H2,(H,15,16)
InChIKeyGSEQZKNBYDAEAH-UHFFFAOYSA-N
MW334.11 g/mol
LogP1.17
Rot. Bonds2

About 1-(4-iodo-1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid

1-(4-iodo-1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 119353613) has the molecular formula C10H11IN2O3 and a molecular weight of 334.11 g/mol. Its IUPAC name is 1-(4-iodo-1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-iodo-1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID119353613
Molecular FormulaC10H11IN2O3
Molecular Weight334.11 g/mol
Exact Mass333.98
IUPAC Name1-(4-iodo-1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cc(I)c[nH]2)C1
InChIInChI=1S/C10H11IN2O3/c11-7-3-8(12-4-7)9(14)13-2-1-6(5-13)10(15)16/h3-4,6,12H,1-2,5H2,(H,15,16)
InChIKeyGSEQZKNBYDAEAH-UHFFFAOYSA-N
XLogP1.17
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.11
LogP ≤ 51.17
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-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63031096
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-iodo-1H-pyrrol-2-yl)methanone;hydrochloride
CID 119623972
1-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carbonyl]piperidine-3-carboxylic acid
CID 16780162
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
1-(3,4,5-trifluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 55160200
1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 154750729
pyrrolidine-1,3-dicarboxylic acid
CID 22258620
1-[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354559
1-[(3-iodophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 55151371
4-(4-methyl-1H-pyrrole-2-carbonyl)piperazine-2-carboxylic acid
CID 56880977
(3S)-1-(2,3,5-triiodobenzoyl)piperidine-3-carboxylic acid
CID 81125455
(3-aminopyrrolidin-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone
CID 62068437

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodo-1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-iodo-1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid (CID 119353613) is 1-(4-iodo-1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-iodo-1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-iodo-1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)c2cc(I)c[nH]2)C1.
What is the InChIKey of 1-(4-iodo-1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is GSEQZKNBYDAEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN2O3/c11-7-3-8(12-4-7)9(14)13-2-1-6(5-13)10(15)16/h3-4,6,12H,1-2,5H2,(H,15,16).
What are the key properties of 1-(4-iodo-1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid?
1-(4-iodo-1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 334.11 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodo-1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119353613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).