3-amino-1-[(2S)-2-hydroxycyclobutyl]pyridin-2-one;hydrochloride

C9H13ClN2O2 — CID 162308207

IUPAC3-amino-1-[(2S)-2-hydroxycyclobutyl]pyridin-2-one;hydrochloride
SMILESCl.Nc1cccn(C2CC[C@@H]2O)c1=O
InChIInChI=1S/C9H12N2O2.ClH/c10-6-2-1-5-11(9(6)13)7-3-4-8(7)12;/h1-2,5,7-8,12H,3-4,10H2;1H/t7?,8-;/m0./s1
InChIKeySELPOKSCIDHCIQ-MTICXXPYSA-N
MW216.67 g/mol
LogP0.55
Rot. Bonds1

About 3-amino-1-[(2S)-2-hydroxycyclobutyl]pyridin-2-one;hydrochloride

3-amino-1-[(2S)-2-hydroxycyclobutyl]pyridin-2-one;hydrochloride (PubChem CID 162308207) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 3-amino-1-[(2S)-2-hydroxycyclobutyl]pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-[(2S)-2-hydroxycyclobutyl]pyridin-2-one;hydrochloride
PubChem CID162308207
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name3-amino-1-[(2S)-2-hydroxycyclobutyl]pyridin-2-one;hydrochloride
SMILESCl.Nc1cccn(C2CC[C@@H]2O)c1=O
InChIInChI=1S/C9H12N2O2.ClH/c10-6-2-1-5-11(9(6)13)7-3-4-8(7)12;/h1-2,5,7-8,12H,3-4,10H2;1H/t7?,8-;/m0./s1
InChIKeySELPOKSCIDHCIQ-MTICXXPYSA-N
XLogP0.55
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[(1S,2R)-2-hydroxycyclobutyl]pyridin-2-one
CID 146572606
3-amino-1-[(1S,2R)-2-hydroxycyclopentyl]pyridin-2-one
CID 137457484
3-amino-1-[(1S,2S)-2-aminocyclobutyl]pyridin-2-one
CID 137457656
3-amino-1-[(2R)-2-fluorocyclopropyl]pyridin-2-one;hydrochloride
CID 162319124
1-[(1R,2R)-2-hydroxycyclobutyl]-3-methylpyridin-2-one
CID 170110073
1-[(2S)-2-hydroxycyclobutyl]-3-methylpyridin-2-one
CID 166507271
3-amino-1-cyclopropylpyridin-2-one
CID 82466689
[1-[(1R,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl] formate
CID 170110065
3-amino-1-[(2R)-2-methoxycyclopentyl]pyridin-2-one
CID 137450052
3-amino-1-[(3S)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one
CID 137450536
3-amino-1-(2,2-difluorocyclopropyl)pyridin-2-one;hydrochloride
CID 164554871
3-amino-1-[(3S)-3-methoxyoxan-4-yl]pyridin-2-one
CID 159277400

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2S)-2-hydroxycyclobutyl]pyridin-2-one;hydrochloride?
The IUPAC name of 3-amino-1-[(2S)-2-hydroxycyclobutyl]pyridin-2-one;hydrochloride (CID 162308207) is 3-amino-1-[(2S)-2-hydroxycyclobutyl]pyridin-2-one;hydrochloride.
What is the SMILES notation for 3-amino-1-[(2S)-2-hydroxycyclobutyl]pyridin-2-one;hydrochloride?
The canonical SMILES for 3-amino-1-[(2S)-2-hydroxycyclobutyl]pyridin-2-one;hydrochloride is Cl.Nc1cccn(C2CC[C@@H]2O)c1=O.
What is the InChIKey of 3-amino-1-[(2S)-2-hydroxycyclobutyl]pyridin-2-one;hydrochloride?
The InChIKey is SELPOKSCIDHCIQ-MTICXXPYSA-N. The full InChI is InChI=1S/C9H12N2O2.ClH/c10-6-2-1-5-11(9(6)13)7-3-4-8(7)12;/h1-2,5,7-8,12H,3-4,10H2;1H/t7?,8-;/m0./s1.
What are the key properties of 3-amino-1-[(2S)-2-hydroxycyclobutyl]pyridin-2-one;hydrochloride?
3-amino-1-[(2S)-2-hydroxycyclobutyl]pyridin-2-one;hydrochloride has a molecular weight of 216.67 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2S)-2-hydroxycyclobutyl]pyridin-2-one;hydrochloride is sourced from PubChem (CID 162308207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).