4-[(1S)-1-amino-2-methoxyethyl]-6-hydroxy-1H-pyridin-2-one

C8H12N2O3 — CID 130658838

IUPAC4-[(1S)-1-amino-2-methoxyethyl]-6-hydroxy-1H-pyridin-2-one
SMILESCOC[C@@H](N)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C8H12N2O3/c1-13-4-6(9)5-2-7(11)10-8(12)3-5/h2-3,6H,4,9H2,1H3,(H2,10,11,12)/t6-/m1/s1
InChIKeyRVJAKMLGNATDOO-ZCFIWIBFSA-N
MW184.19 g/mol
LogP-0.27
Rot. Bonds3

About 4-[(1S)-1-amino-2-methoxyethyl]-6-hydroxy-1H-pyridin-2-one

4-[(1S)-1-amino-2-methoxyethyl]-6-hydroxy-1H-pyridin-2-one (PubChem CID 130658838) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 4-[(1S)-1-amino-2-methoxyethyl]-6-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(1S)-1-amino-2-methoxyethyl]-6-hydroxy-1H-pyridin-2-one
PubChem CID130658838
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name4-[(1S)-1-amino-2-methoxyethyl]-6-hydroxy-1H-pyridin-2-one
SMILESCOC[C@@H](N)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C8H12N2O3/c1-13-4-6(9)5-2-7(11)10-8(12)3-5/h2-3,6H,4,9H2,1H3,(H2,10,11,12)/t6-/m1/s1
InChIKeyRVJAKMLGNATDOO-ZCFIWIBFSA-N
XLogP-0.27
TPSA88.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1S)-1-aminobutyl]-6-hydroxy-1H-pyridin-2-one
CID 130673654
4-[(1R)-1-amino-2-methoxyethyl]-1H-pyridin-2-one
CID 55292761
4-[(1R)-1-aminobut-3-enyl]-6-hydroxy-1H-pyridin-2-one
CID 131037925
6-hydroxy-4-methoxy-1H-pyridin-2-one
CID 119082301
1-(3,5-dichlorophenyl)-2-methoxyethanamine
CID 112693325
(1S)-1-(3,5-dibromophenyl)-2-methoxyethanamine
CID 131077040
4-[(1S)-1-amino-2-methoxyethyl]phenol
CID 55292260
(1R)-1-(3,5-difluorophenyl)-2-methoxyethanamine
CID 55272435
4-[(1R)-1-amino-2-methoxyethyl]benzene-1,2-diol
CID 130658137
1-(2,6-dimethyl-4-pyridinyl)-2-methoxyethanamine
CID 107503103
4-[(R)-amino(cyclobutyl)methyl]-6-hydroxy-1H-pyridin-2-one
CID 130638199
5-[(1R)-1-amino-2-methoxyethyl]-3-chloro-1H-pyridin-2-one
CID 130722019

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-2-methoxyethyl]-6-hydroxy-1H-pyridin-2-one?
The IUPAC name of 4-[(1S)-1-amino-2-methoxyethyl]-6-hydroxy-1H-pyridin-2-one (CID 130658838) is 4-[(1S)-1-amino-2-methoxyethyl]-6-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 4-[(1S)-1-amino-2-methoxyethyl]-6-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 4-[(1S)-1-amino-2-methoxyethyl]-6-hydroxy-1H-pyridin-2-one is COC[C@@H](N)c1cc(O)[nH]c(=O)c1.
What is the InChIKey of 4-[(1S)-1-amino-2-methoxyethyl]-6-hydroxy-1H-pyridin-2-one?
The InChIKey is RVJAKMLGNATDOO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-13-4-6(9)5-2-7(11)10-8(12)3-5/h2-3,6H,4,9H2,1H3,(H2,10,11,12)/t6-/m1/s1.
What are the key properties of 4-[(1S)-1-amino-2-methoxyethyl]-6-hydroxy-1H-pyridin-2-one?
4-[(1S)-1-amino-2-methoxyethyl]-6-hydroxy-1H-pyridin-2-one has a molecular weight of 184.19 g/mol, XLogP of -0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-amino-2-methoxyethyl]-6-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 130658838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).