3-amino-1-[(1S,2R)-2-hydroxycyclobutyl]pyridin-2-one

C9H12N2O2 — CID 146572606

IUPAC3-amino-1-[(1S,2R)-2-hydroxycyclobutyl]pyridin-2-one
SMILESNc1cccn([C@H]2CC[C@H]2O)c1=O
InChIInChI=1S/C9H12N2O2/c10-6-2-1-5-11(9(6)13)7-3-4-8(7)12/h1-2,5,7-8,12H,3-4,10H2/t7-,8+/m0/s1
InChIKeyCSPYUDMVNYSUNY-JGVFFNPUSA-N
MW180.21 g/mol
LogP0.13
Rot. Bonds1

About 3-amino-1-[(1S,2R)-2-hydroxycyclobutyl]pyridin-2-one

3-amino-1-[(1S,2R)-2-hydroxycyclobutyl]pyridin-2-one (PubChem CID 146572606) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-amino-1-[(1S,2R)-2-hydroxycyclobutyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[(1S,2R)-2-hydroxycyclobutyl]pyridin-2-one
PubChem CID146572606
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-amino-1-[(1S,2R)-2-hydroxycyclobutyl]pyridin-2-one
SMILESNc1cccn([C@H]2CC[C@H]2O)c1=O
InChIInChI=1S/C9H12N2O2/c10-6-2-1-5-11(9(6)13)7-3-4-8(7)12/h1-2,5,7-8,12H,3-4,10H2/t7-,8+/m0/s1
InChIKeyCSPYUDMVNYSUNY-JGVFFNPUSA-N
XLogP0.13
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[(2S)-2-hydroxycyclobutyl]pyridin-2-one;hydrochloride
CID 162308207
3-amino-1-[(1S,2R)-2-hydroxycyclopentyl]pyridin-2-one
CID 137457484
3-amino-1-[(1S,2S)-2-aminocyclobutyl]pyridin-2-one
CID 137457656
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
3-amino-1-[(2R)-2-fluorocyclopropyl]pyridin-2-one;hydrochloride
CID 162319124
3-amino-1-[(2R)-2-methoxycyclopentyl]pyridin-2-one
CID 137450052
[1-[(1R,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl] formate
CID 170110065
3-amino-1-[(3S)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one
CID 137450536
3-amino-1-[(3S)-3-methoxyoxan-4-yl]pyridin-2-one
CID 159277400
3-amino-1-(2,2-difluorocyclopropyl)pyridin-2-one;hydrochloride
CID 164554871

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(1S,2R)-2-hydroxycyclobutyl]pyridin-2-one?
The IUPAC name of 3-amino-1-[(1S,2R)-2-hydroxycyclobutyl]pyridin-2-one (CID 146572606) is 3-amino-1-[(1S,2R)-2-hydroxycyclobutyl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[(1S,2R)-2-hydroxycyclobutyl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[(1S,2R)-2-hydroxycyclobutyl]pyridin-2-one is Nc1cccn([C@H]2CC[C@H]2O)c1=O.
What is the InChIKey of 3-amino-1-[(1S,2R)-2-hydroxycyclobutyl]pyridin-2-one?
The InChIKey is CSPYUDMVNYSUNY-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H12N2O2/c10-6-2-1-5-11(9(6)13)7-3-4-8(7)12/h1-2,5,7-8,12H,3-4,10H2/t7-,8+/m0/s1.
What are the key properties of 3-amino-1-[(1S,2R)-2-hydroxycyclobutyl]pyridin-2-one?
3-amino-1-[(1S,2R)-2-hydroxycyclobutyl]pyridin-2-one has a molecular weight of 180.21 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(1S,2R)-2-hydroxycyclobutyl]pyridin-2-one is sourced from PubChem (CID 146572606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).