N-[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]-1-(3-iodopropanoyl)pyrrolidine-2-carboxamide

C17H26IN3O4 — CID 155261171

IUPACN-[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]-1-(3-iodopropanoyl)pyrrolidine-2-carboxamide
SMILESCC(=O)C1CCCN1C(=O)C(C)NC(=O)C1CCCN1C(=O)CCI
InChIInChI=1S/C17H26IN3O4/c1-11(17(25)21-10-3-5-13(21)12(2)22)19-16(24)14-6-4-9-20(14)15(23)7-8-18/h11,13-14H,3-10H2,1-2H3,(H,19,24)
InChIKeyYDRWXSBCZCHANK-UHFFFAOYSA-N
MW463.32 g/mol
LogP0.89
Rot. Bonds6

About N-[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]-1-(3-iodopropanoyl)pyrrolidine-2-carboxamide

N-[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]-1-(3-iodopropanoyl)pyrrolidine-2-carboxamide (PubChem CID 155261171) has the molecular formula C17H26IN3O4 and a molecular weight of 463.32 g/mol. Its IUPAC name is N-[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]-1-(3-iodopropanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]-1-(3-iodopropanoyl)pyrrolidine-2-carboxamide
PubChem CID155261171
Molecular FormulaC17H26IN3O4
Molecular Weight463.32 g/mol
Exact Mass463.10
IUPAC NameN-[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]-1-(3-iodopropanoyl)pyrrolidine-2-carboxamide
SMILESCC(=O)C1CCCN1C(=O)C(C)NC(=O)C1CCCN1C(=O)CCI
InChIInChI=1S/C17H26IN3O4/c1-11(17(25)21-10-3-5-13(21)12(2)22)19-16(24)14-6-4-9-20(14)15(23)7-8-18/h11,13-14H,3-10H2,1-2H3,(H,19,24)
InChIKeyYDRWXSBCZCHANK-UHFFFAOYSA-N
XLogP0.89
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]-1-(3-iodopropanoyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[(2R)-2-[[(2S)-1-[(2R)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 71419442
2-[[1-[2-[[1-[2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 18347853
(2S)-2-[[(2S)-1-(2-azaniumylacetyl)pyrrolidine-2-carbonyl]amino]propanoate
CID 7276370
(2S)-1-[(2S)-2-[[(2S)-1-(carboxymethyl)pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 13343615
3-amino-4-[[1-[2-(1-carboxyethylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 18246786
(2S)-1-[(2S)-2-hydroxypropanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 14607704
tert-butyl (2R)-1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate
CID 81002762
ethyl 1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate
CID 55006105
(2S)-1-[(2R)-2-acetylpyrrolidin-1-yl]-2-aminopropan-1-one
CID 59945910
1-[(2S)-2-[(2S)-2-acetylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-methylhexane-1,4-dione
CID 138721650
(2S)-1-[2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 51056037
(2S)-1-[(2S)-2-acetamidopropanoyl]-N-[(2S)-1-hydrazinyl-1-oxohexan-2-yl]pyrrolidine-2-carboxamide
CID 46850017

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]-1-(3-iodopropanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]-1-(3-iodopropanoyl)pyrrolidine-2-carboxamide (CID 155261171) is N-[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]-1-(3-iodopropanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]-1-(3-iodopropanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]-1-(3-iodopropanoyl)pyrrolidine-2-carboxamide is CC(=O)C1CCCN1C(=O)C(C)NC(=O)C1CCCN1C(=O)CCI.
What is the InChIKey of N-[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]-1-(3-iodopropanoyl)pyrrolidine-2-carboxamide?
The InChIKey is YDRWXSBCZCHANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26IN3O4/c1-11(17(25)21-10-3-5-13(21)12(2)22)19-16(24)14-6-4-9-20(14)15(23)7-8-18/h11,13-14H,3-10H2,1-2H3,(H,19,24).
What are the key properties of N-[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]-1-(3-iodopropanoyl)pyrrolidine-2-carboxamide?
N-[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]-1-(3-iodopropanoyl)pyrrolidine-2-carboxamide has a molecular weight of 463.32 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]-1-(3-iodopropanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 155261171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).