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

C6H13ClN2O — CID 53484456

IUPAC(2S)-2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride
SMILESC[C@H](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/t5-;/m0./s1
InChIKeyMJBJUEKCONTCSL-JEDNCBNOSA-N
MW164.64 g/mol
LogP-0.01
Rot. Bonds1

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

(2S)-2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride (PubChem CID 53484456) has the molecular formula C6H13ClN2O and a molecular weight of 164.64 g/mol. Its IUPAC name is (2S)-2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride
PubChem CID53484456
Molecular FormulaC6H13ClN2O
Molecular Weight164.64 g/mol
Exact Mass164.07
IUPAC Name(2S)-2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride
SMILESC[C@H](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/t5-;/m0./s1
InChIKeyMJBJUEKCONTCSL-JEDNCBNOSA-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

Analyze (2S)-2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride
CID 53484454
(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
(2S)-2-amino-1-[(3R)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93086372
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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride (CID 53484456) is (2S)-2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride is C[C@H](N)C(=O)N1CCC1.Cl.
What is the InChIKey of (2S)-2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride?
The InChIKey is MJBJUEKCONTCSL-JEDNCBNOSA-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/t5-;/m0./s1.
What are the key properties of (2S)-2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride?
(2S)-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 (2S)-2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 53484456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).