3-(2-amino-1-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyridin-2-one;hydrochloride

C12H18ClN3O3 — CID 66901576

IUPAC3-(2-amino-1-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyridin-2-one;hydrochloride
SMILESCl.NC(C(=O)N1CCCC1)C(O)c1ccc[nH]c1=O
InChIInChI=1S/C12H17N3O3.ClH/c13-9(12(18)15-6-1-2-7-15)10(16)8-4-3-5-14-11(8)17;/h3-5,9-10,16H,1-2,6-7,13H2,(H,14,17);1H
InChIKeyNEFVBOHWGFSLHF-UHFFFAOYSA-N
MW287.75 g/mol
LogP-0.22
Rot. Bonds3

About 3-(2-amino-1-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyridin-2-one;hydrochloride

3-(2-amino-1-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyridin-2-one;hydrochloride (PubChem CID 66901576) has the molecular formula C12H18ClN3O3 and a molecular weight of 287.75 g/mol. Its IUPAC name is 3-(2-amino-1-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name3-(2-amino-1-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyridin-2-one;hydrochloride
PubChem CID66901576
Molecular FormulaC12H18ClN3O3
Molecular Weight287.75 g/mol
Exact Mass287.10
IUPAC Name3-(2-amino-1-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyridin-2-one;hydrochloride
SMILESCl.NC(C(=O)N1CCCC1)C(O)c1ccc[nH]c1=O
InChIInChI=1S/C12H17N3O3.ClH/c13-9(12(18)15-6-1-2-7-15)10(16)8-4-3-5-14-11(8)17;/h3-5,9-10,16H,1-2,6-7,13H2,(H,14,17);1H
InChIKeyNEFVBOHWGFSLHF-UHFFFAOYSA-N
XLogP-0.22
TPSA99.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(2-amino-1-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyridin-2-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

(2R,3S)-2-amino-3-hydroxy-3-(2-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 143270061
2-amino-3-hydroxy-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 23572000
2-amino-3-hydroxy-3-(3-iodophenyl)-1-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 68959069
(2R,3S)-2-amino-3-(4-chlorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 24759914
3-(dihydroxymethyl)-1H-pyridin-2-one
CID 89458660
(2R,3R)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 25155665
2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one
CID 50940502
(2R,3S)-2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-thiophen-3-ylpropan-1-one;methane;sulfane;hydrochloride
CID 161483552
(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;methane
CID 169423845
(2S,3R)-2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-thiophen-3-ylpropan-1-one;methane;sulfane;hydrochloride
CID 161483551
(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;methane;sulfane
CID 158733904
3-[(1R)-1-aminoethyl]-1H-pyridin-2-one
CID 55263461

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 3-(2-amino-1-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyridin-2-one;hydrochloride (CID 66901576) is 3-(2-amino-1-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 3-(2-amino-1-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 3-(2-amino-1-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyridin-2-one;hydrochloride is Cl.NC(C(=O)N1CCCC1)C(O)c1ccc[nH]c1=O.
What is the InChIKey of 3-(2-amino-1-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyridin-2-one;hydrochloride?
The InChIKey is NEFVBOHWGFSLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3.ClH/c13-9(12(18)15-6-1-2-7-15)10(16)8-4-3-5-14-11(8)17;/h3-5,9-10,16H,1-2,6-7,13H2,(H,14,17);1H.
What are the key properties of 3-(2-amino-1-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyridin-2-one;hydrochloride?
3-(2-amino-1-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyridin-2-one;hydrochloride has a molecular weight of 287.75 g/mol, XLogP of -0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 66901576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).