iodo N-(3-aminopropanoyl)carbamate

C4H7IN2O3 — CID 144841850

IUPACiodo N-(3-aminopropanoyl)carbamate
SMILESNCCC(=O)NC(=O)OI
InChIInChI=1S/C4H7IN2O3/c5-10-4(9)7-3(8)1-2-6/h1-2,6H2,(H,7,8,9)
InChIKeyIGWBMSPGKIZZKN-UHFFFAOYSA-N
MW258.01 g/mol
LogP-0.06
Rot. Bonds2

About iodo N-(3-aminopropanoyl)carbamate

iodo N-(3-aminopropanoyl)carbamate (PubChem CID 144841850) has the molecular formula C4H7IN2O3 and a molecular weight of 258.01 g/mol. Its IUPAC name is iodo N-(3-aminopropanoyl)carbamate.

Molecular Properties

Compound Nameiodo N-(3-aminopropanoyl)carbamate
PubChem CID144841850
Molecular FormulaC4H7IN2O3
Molecular Weight258.01 g/mol
Exact Mass257.95
IUPAC Nameiodo N-(3-aminopropanoyl)carbamate
SMILESNCCC(=O)NC(=O)OI
InChIInChI=1S/C4H7IN2O3/c5-10-4(9)7-3(8)1-2-6/h1-2,6H2,(H,7,8,9)
InChIKeyIGWBMSPGKIZZKN-UHFFFAOYSA-N
XLogP-0.06
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.01
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze iodo N-(3-aminopropanoyl)carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of iodo N-(3-aminopropanoyl)carbamate?
The IUPAC name of iodo N-(3-aminopropanoyl)carbamate (CID 144841850) is iodo N-(3-aminopropanoyl)carbamate.
What is the SMILES notation for iodo N-(3-aminopropanoyl)carbamate?
The canonical SMILES for iodo N-(3-aminopropanoyl)carbamate is NCCC(=O)NC(=O)OI.
What is the InChIKey of iodo N-(3-aminopropanoyl)carbamate?
The InChIKey is IGWBMSPGKIZZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7IN2O3/c5-10-4(9)7-3(8)1-2-6/h1-2,6H2,(H,7,8,9).
What are the key properties of iodo N-(3-aminopropanoyl)carbamate?
iodo N-(3-aminopropanoyl)carbamate has a molecular weight of 258.01 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iodo N-(3-aminopropanoyl)carbamate is sourced from PubChem (CID 144841850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).