N-(1-methanidylazetidin-3-yl)acetamide

C6H11N2O- — CID 59822088

IUPACN-(1-methanidylazetidin-3-yl)acetamide
SMILES[CH2-]N1CC(NC(C)=O)C1
InChIInChI=1S/C6H11N2O/c1-5(9)7-6-3-8(2)4-6/h6H,2-4H2,1H3,(H,7,9)/q-1
InChIKeySWVWRKOZDPYCFE-UHFFFAOYSA-N
MW127.17 g/mol
LogP-0.40
Rot. Bonds1

About N-(1-methanidylazetidin-3-yl)acetamide

N-(1-methanidylazetidin-3-yl)acetamide (PubChem CID 59822088) has the molecular formula C6H11N2O- and a molecular weight of 127.17 g/mol. Its IUPAC name is N-(1-methanidylazetidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-methanidylazetidin-3-yl)acetamide
PubChem CID59822088
Molecular FormulaC6H11N2O-
Molecular Weight127.17 g/mol
Exact Mass127.09
IUPAC NameN-(1-methanidylazetidin-3-yl)acetamide
SMILES[CH2-]N1CC(NC(C)=O)C1
InChIInChI=1S/C6H11N2O/c1-5(9)7-6-3-8(2)4-6/h6H,2-4H2,1H3,(H,7,9)/q-1
InChIKeySWVWRKOZDPYCFE-UHFFFAOYSA-N
XLogP-0.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.17
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-methanidylazetidin-3-yl)acetamide?
The IUPAC name of N-(1-methanidylazetidin-3-yl)acetamide (CID 59822088) is N-(1-methanidylazetidin-3-yl)acetamide.
What is the SMILES notation for N-(1-methanidylazetidin-3-yl)acetamide?
The canonical SMILES for N-(1-methanidylazetidin-3-yl)acetamide is [CH2-]N1CC(NC(C)=O)C1.
What is the InChIKey of N-(1-methanidylazetidin-3-yl)acetamide?
The InChIKey is SWVWRKOZDPYCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2O/c1-5(9)7-6-3-8(2)4-6/h6H,2-4H2,1H3,(H,7,9)/q-1.
What are the key properties of N-(1-methanidylazetidin-3-yl)acetamide?
N-(1-methanidylazetidin-3-yl)acetamide has a molecular weight of 127.17 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methanidylazetidin-3-yl)acetamide is sourced from PubChem (CID 59822088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).