azetidine-3-carboxamide;hydrochloride

C4H9ClN2O — CID 23051769

IUPACazetidine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CNC1
InChIInChI=1S/C4H8N2O.ClH/c5-4(7)3-1-6-2-3;/h3,6H,1-2H2,(H2,5,7);1H
InChIKeyBVHAZJRRJVJSES-UHFFFAOYSA-N
MW136.58 g/mol
LogP-0.89
Rot. Bonds1

About azetidine-3-carboxamide;hydrochloride

azetidine-3-carboxamide;hydrochloride (PubChem CID 23051769) has the molecular formula C4H9ClN2O and a molecular weight of 136.58 g/mol. Its IUPAC name is azetidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Nameazetidine-3-carboxamide;hydrochloride
PubChem CID23051769
Molecular FormulaC4H9ClN2O
Molecular Weight136.58 g/mol
Exact Mass136.04
IUPAC Nameazetidine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CNC1
InChIInChI=1S/C4H8N2O.ClH/c5-4(7)3-1-6-2-3;/h3,6H,1-2H2,(H2,5,7);1H
InChIKeyBVHAZJRRJVJSES-UHFFFAOYSA-N
XLogP-0.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.58
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethylazetidine-3-carboxamide
CID 65963358
N,2-dimethyl-3-(methylamino)propanamide
CID 20578861
N-methyl-3-Azetidinecarboxamide
CID 59597796
N,N-dimethylazetidine-3-carboxamide hydrochloride
CID 53308702
N-methylazetidine-3-carboxamide hydrochloride
CID 69007600
2-(Azetidin-3-yl)acetamide hydrochloride
CID 89422825
3-Aminoazetidine-3-carboxamide hydrochloride
CID 131726759
3-Methylazetidine-3-carboxamide hydrochloride
CID 121553702
Azetidine-3-carboxamide
CID 17931405
N,N-Dimethyl-3-azetidinecarboxamide
CID 53308703
3-Methylazetidine-3-carboxamide
CID 118967797
1-Fluoroazetidine-3-carboxamide
CID 130227484

Frequently Asked Questions

What is the IUPAC name of azetidine-3-carboxamide;hydrochloride?
The IUPAC name of azetidine-3-carboxamide;hydrochloride (CID 23051769) is azetidine-3-carboxamide;hydrochloride.
What is the SMILES notation for azetidine-3-carboxamide;hydrochloride?
The canonical SMILES for azetidine-3-carboxamide;hydrochloride is Cl.NC(=O)C1CNC1.
What is the InChIKey of azetidine-3-carboxamide;hydrochloride?
The InChIKey is BVHAZJRRJVJSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O.ClH/c5-4(7)3-1-6-2-3;/h3,6H,1-2H2,(H2,5,7);1H.
What are the key properties of azetidine-3-carboxamide;hydrochloride?
azetidine-3-carboxamide;hydrochloride has a molecular weight of 136.58 g/mol, XLogP of -0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 23051769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).