3-(methylamino)azetidine-3-carboxamide;hydrochloride

C5H12ClN3O — CID 131726249

IUPAC3-(methylamino)azetidine-3-carboxamide;hydrochloride
SMILESCNC1(C(N)=O)CNC1.Cl
InChIInChI=1S/C5H11N3O.ClH/c1-7-5(4(6)9)2-8-3-5;/h7-8H,2-3H2,1H3,(H2,6,9);1H
InChIKeySILRWGWWQZHDBG-UHFFFAOYSA-N
MW165.62 g/mol
LogP-1.55
Rot. Bonds2

About 3-(methylamino)azetidine-3-carboxamide;hydrochloride

3-(methylamino)azetidine-3-carboxamide;hydrochloride (PubChem CID 131726249) has the molecular formula C5H12ClN3O and a molecular weight of 165.62 g/mol. Its IUPAC name is 3-(methylamino)azetidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-(methylamino)azetidine-3-carboxamide;hydrochloride
PubChem CID131726249
Molecular FormulaC5H12ClN3O
Molecular Weight165.62 g/mol
Exact Mass165.07
IUPAC Name3-(methylamino)azetidine-3-carboxamide;hydrochloride
SMILESCNC1(C(N)=O)CNC1.Cl
InChIInChI=1S/C5H11N3O.ClH/c1-7-5(4(6)9)2-8-3-5;/h7-8H,2-3H2,1H3,(H2,6,9);1H
InChIKeySILRWGWWQZHDBG-UHFFFAOYSA-N
XLogP-1.55
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)azetidine-3-carboxamide;hydrochloride?
The IUPAC name of 3-(methylamino)azetidine-3-carboxamide;hydrochloride (CID 131726249) is 3-(methylamino)azetidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 3-(methylamino)azetidine-3-carboxamide;hydrochloride?
The canonical SMILES for 3-(methylamino)azetidine-3-carboxamide;hydrochloride is CNC1(C(N)=O)CNC1.Cl.
What is the InChIKey of 3-(methylamino)azetidine-3-carboxamide;hydrochloride?
The InChIKey is SILRWGWWQZHDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O.ClH/c1-7-5(4(6)9)2-8-3-5;/h7-8H,2-3H2,1H3,(H2,6,9);1H.
What are the key properties of 3-(methylamino)azetidine-3-carboxamide;hydrochloride?
3-(methylamino)azetidine-3-carboxamide;hydrochloride has a molecular weight of 165.62 g/mol, XLogP of -1.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)azetidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 131726249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).