5-[(1S)-1-amino-2-methylpropyl]-6-methyl-1H-pyridin-2-one

C10H16N2O — CID 130648700

IUPAC5-[(1S)-1-amino-2-methylpropyl]-6-methyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)ccc1[C@@H](N)C(C)C
InChIInChI=1S/C10H16N2O/c1-6(2)10(11)8-4-5-9(13)12-7(8)3/h4-6,10H,11H2,1-3H3,(H,12,13)/t10-/m0/s1
InChIKeyMHUABZWNFPUKCF-JTQLQIEISA-N
MW180.25 g/mol
LogP1.34
Rot. Bonds2

About 5-[(1S)-1-amino-2-methylpropyl]-6-methyl-1H-pyridin-2-one

5-[(1S)-1-amino-2-methylpropyl]-6-methyl-1H-pyridin-2-one (PubChem CID 130648700) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-[(1S)-1-amino-2-methylpropyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(1S)-1-amino-2-methylpropyl]-6-methyl-1H-pyridin-2-one
PubChem CID130648700
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name5-[(1S)-1-amino-2-methylpropyl]-6-methyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)ccc1[C@@H](N)C(C)C
InChIInChI=1S/C10H16N2O/c1-6(2)10(11)8-4-5-9(13)12-7(8)3/h4-6,10H,11H2,1-3H3,(H,12,13)/t10-/m0/s1
InChIKeyMHUABZWNFPUKCF-JTQLQIEISA-N
XLogP1.34
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(1R,2S)-1-amino-2-hydroxypropyl]-6-methyl-1H-pyridin-2-one
CID 55294913
5-(1-aminopentyl)-6-methyl-1H-pyridin-2-one
CID 55296910
5-(1-hydroxypropyl)-6-methyl-1H-pyridin-2-one
CID 102546387
2-(1-amino-2-methylpropyl)-1H-pyrimidin-6-one
CID 63362737
(1R)-1-(6-fluoro-2-methyl-3-pyridinyl)-2-methylpropan-1-amine
CID 55273620
5-chloro-6-methyl-1H-pyridin-2-one
CID 23318261
6-hydroxy-5-propan-2-yl-1H-pyridin-2-one
CID 119093189
4-[(1R)-1-amino-2-methylpropyl]-3-methylaniline
CID 55275534
5-[(1S)-1-aminoethyl]-6-methyl-1H-pyridine-2-thione
CID 124502609
5-(1-aminoethyl)-8-hydroxy-1H-quinolin-2-one;hydrochloride
CID 70411670
N-[2,3-dihydroxy-3-(2-methyl-6-oxo-1H-pyridin-3-yl)propyl]acetamide
CID 170829833
(1R)-1-(4-bromo-2-methylphenyl)-2-methylpropan-1-amine
CID 96662464

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-amino-2-methylpropyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 5-[(1S)-1-amino-2-methylpropyl]-6-methyl-1H-pyridin-2-one (CID 130648700) is 5-[(1S)-1-amino-2-methylpropyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-[(1S)-1-amino-2-methylpropyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-[(1S)-1-amino-2-methylpropyl]-6-methyl-1H-pyridin-2-one is Cc1[nH]c(=O)ccc1[C@@H](N)C(C)C.
What is the InChIKey of 5-[(1S)-1-amino-2-methylpropyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is MHUABZWNFPUKCF-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16N2O/c1-6(2)10(11)8-4-5-9(13)12-7(8)3/h4-6,10H,11H2,1-3H3,(H,12,13)/t10-/m0/s1.
What are the key properties of 5-[(1S)-1-amino-2-methylpropyl]-6-methyl-1H-pyridin-2-one?
5-[(1S)-1-amino-2-methylpropyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 180.25 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-amino-2-methylpropyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 130648700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).