N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methylcarbamoylamino]ethyl]propanamide

C11H17N3O5 — CID 170029952

IUPACN-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methylcarbamoylamino]ethyl]propanamide
SMILESCCC(=O)NCCNC(=O)NCc1oc(=O)oc1C
InChIInChI=1S/C11H17N3O5/c1-3-9(15)12-4-5-13-10(16)14-6-8-7(2)18-11(17)19-8/h3-6H2,1-2H3,(H,12,15)(H2,13,14,16)
InChIKeyCRZHKUDCHMRJDF-UHFFFAOYSA-N
MW271.27 g/mol
LogP-0.13
Rot. Bonds6

About N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methylcarbamoylamino]ethyl]propanamide

N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methylcarbamoylamino]ethyl]propanamide (PubChem CID 170029952) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methylcarbamoylamino]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methylcarbamoylamino]ethyl]propanamide
PubChem CID170029952
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC NameN-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methylcarbamoylamino]ethyl]propanamide
SMILESCCC(=O)NCCNC(=O)NCc1oc(=O)oc1C
InChIInChI=1S/C11H17N3O5/c1-3-9(15)12-4-5-13-10(16)14-6-8-7(2)18-11(17)19-8/h3-6H2,1-2H3,(H,12,15)(H2,13,14,16)
InChIKeyCRZHKUDCHMRJDF-UHFFFAOYSA-N
XLogP-0.13
TPSA113.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methylcarbamoylamino]ethyl]propanamide 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 N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methylcarbamoylamino]ethyl]propanamide?
The IUPAC name of N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methylcarbamoylamino]ethyl]propanamide (CID 170029952) is N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methylcarbamoylamino]ethyl]propanamide.
What is the SMILES notation for N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methylcarbamoylamino]ethyl]propanamide?
The canonical SMILES for N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methylcarbamoylamino]ethyl]propanamide is CCC(=O)NCCNC(=O)NCc1oc(=O)oc1C.
What is the InChIKey of N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methylcarbamoylamino]ethyl]propanamide?
The InChIKey is CRZHKUDCHMRJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5/c1-3-9(15)12-4-5-13-10(16)14-6-8-7(2)18-11(17)19-8/h3-6H2,1-2H3,(H,12,15)(H2,13,14,16).
What are the key properties of N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methylcarbamoylamino]ethyl]propanamide?
N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methylcarbamoylamino]ethyl]propanamide has a molecular weight of 271.27 g/mol, XLogP of -0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methylcarbamoylamino]ethyl]propanamide is sourced from PubChem (CID 170029952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).