2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride

C6H13ClN2O — CID 53484454

IUPAC2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride
SMILESCC(N)C(=O)N1CCC1.Cl
InChIInChI=1S/C6H12N2O.ClH/c1-5(7)6(9)8-3-2-4-8;/h5H,2-4,7H2,1H3;1H
InChIKeyMJBJUEKCONTCSL-UHFFFAOYSA-N
MW164.64 g/mol
LogP-0.01
Rot. Bonds1

About 2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride

2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride (PubChem CID 53484454) has the molecular formula C6H13ClN2O and a molecular weight of 164.64 g/mol. Its IUPAC name is 2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride
PubChem CID53484454
Molecular FormulaC6H13ClN2O
Molecular Weight164.64 g/mol
Exact Mass164.07
IUPAC Name2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride
SMILESCC(N)C(=O)N1CCC1.Cl
InChIInChI=1S/C6H12N2O.ClH/c1-5(7)6(9)8-3-2-4-8;/h5H,2-4,7H2,1H3;1H
InChIKeyMJBJUEKCONTCSL-UHFFFAOYSA-N
XLogP-0.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.64
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride
CID 53484456
(2S)-2-amino-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 28745499
(2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 156637210
(2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 122361126
2-amino-1-(4-ethyl-1,4-diazepan-1-yl)propan-1-one
CID 83635043
(2R)-2-amino-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 156637014
2-amino-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
CID 50988106
(2S)-2-amino-1-(4-benzoyl-1,4-diazepan-1-yl)propan-1-one;hydrochloride
CID 119291825
(2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride
CID 131089631
2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride
CID 130694728
2-amino-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 43503084
(2S)-2-amino-1-[(3R)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93086372

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride (CID 53484454) is 2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride is CC(N)C(=O)N1CCC1.Cl.
What is the InChIKey of 2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride?
The InChIKey is MJBJUEKCONTCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.ClH/c1-5(7)6(9)8-3-2-4-8;/h5H,2-4,7H2,1H3;1H.
What are the key properties of 2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride?
2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride has a molecular weight of 164.64 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 53484454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).