3-acetamidopropanoyloxidanium

C5H10NO3+ — CID 154009858

IUPAC3-acetamidopropanoyloxidanium
SMILESCC(=O)NCCC(=O)[OH2+]
InChIInChI=1S/C5H9NO3/c1-4(7)6-3-2-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)/p+1
InChIKeyLJLLAWRMBZNPMO-UHFFFAOYSA-O
MW132.14 g/mol
LogP-1.24
Rot. Bonds3

About 3-acetamidopropanoyloxidanium

3-acetamidopropanoyloxidanium (PubChem CID 154009858) has the molecular formula C5H10NO3+ and a molecular weight of 132.14 g/mol. Its IUPAC name is 3-acetamidopropanoyloxidanium.

Molecular Properties

Compound Name3-acetamidopropanoyloxidanium
PubChem CID154009858
Molecular FormulaC5H10NO3+
Molecular Weight132.14 g/mol
Exact Mass132.07
IUPAC Name3-acetamidopropanoyloxidanium
SMILESCC(=O)NCCC(=O)[OH2+]
InChIInChI=1S/C5H9NO3/c1-4(7)6-3-2-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)/p+1
InChIKeyLJLLAWRMBZNPMO-UHFFFAOYSA-O
XLogP-1.24
TPSA69.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.14
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamidopropyl)acetamide
CID 5147555
N-(4-methyl-3-oxopentyl)acetamide
CID 20600831
N-[2-(3-oxobutylcarbamoylamino)ethyl]acetamide
CID 108895197
2-(3-acetamidopropanoylamino)ethylcarbamic acid
CID 19805641
N-(4-methyl-3-oxopentyl)acetamide;molecular hydrogen
CID 144886744
3-acetamido-N-(2,3-dihydroxypropyl)propanamide
CID 66177308
methyl 3-(3-acetamidopropanoylamino)propanoate
CID 60637138
3-acetamido-N,N-diethylpropanamide;ethane
CID 143532923
N-(8-oxononyl)acetamide
CID 58114719
N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 75480326
N-[4-(4-acetamidobutylamino)butyl]acetamide
CID 10332037
N-[2-[bis(2-acetamidoethyl)amino]ethyl]acetamide
CID 14382083

Frequently Asked Questions

What is the IUPAC name of 3-acetamidopropanoyloxidanium?
The IUPAC name of 3-acetamidopropanoyloxidanium (CID 154009858) is 3-acetamidopropanoyloxidanium.
What is the SMILES notation for 3-acetamidopropanoyloxidanium?
The canonical SMILES for 3-acetamidopropanoyloxidanium is CC(=O)NCCC(=O)[OH2+].
What is the InChIKey of 3-acetamidopropanoyloxidanium?
The InChIKey is LJLLAWRMBZNPMO-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H9NO3/c1-4(7)6-3-2-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)/p+1.
What are the key properties of 3-acetamidopropanoyloxidanium?
3-acetamidopropanoyloxidanium has a molecular weight of 132.14 g/mol, XLogP of -1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamidopropanoyloxidanium is sourced from PubChem (CID 154009858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).