(2S)-2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methylpentan-1-one

C12H24N2O2 — CID 104940920

IUPAC(2S)-2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methylpentan-1-one
SMILESCCC(C)[C@H](N)C(=O)N1CCC(O)C(C)C1
InChIInChI=1S/C12H24N2O2/c1-4-8(2)11(13)12(16)14-6-5-10(15)9(3)7-14/h8-11,15H,4-7,13H2,1-3H3/t8?,9?,10?,11-/m0/s1
InChIKeyFYNDQSPLSAFTSP-QUBJWBRDSA-N
MW228.34 g/mol
LogP0.59
Rot. Bonds3

About (2S)-2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methylpentan-1-one

(2S)-2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methylpentan-1-one (PubChem CID 104940920) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2S)-2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methylpentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methylpentan-1-one
PubChem CID104940920
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2S)-2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methylpentan-1-one
SMILESCCC(C)[C@H](N)C(=O)N1CCC(O)C(C)C1
InChIInChI=1S/C12H24N2O2/c1-4-8(2)11(13)12(16)14-6-5-10(15)9(3)7-14/h8-11,15H,4-7,13H2,1-3H3/t8?,9?,10?,11-/m0/s1
InChIKeyFYNDQSPLSAFTSP-QUBJWBRDSA-N
XLogP0.59
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one
CID 103950641
(2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one
CID 129380985
(2S,3S)-2-amino-3-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)pentan-1-one
CID 103833315
(2S,3S)-2-amino-1-(3-hydroxyazetidin-1-yl)-3-methylpentan-1-one
CID 103950797
(2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methylpentan-1-one
CID 103942735
2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)pentan-1-one
CID 114678311
2-chloro-1-(4-hydroxy-3-methylpiperidin-1-yl)butan-1-one
CID 121202919
1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one
CID 114501404
(2S,3S)-2-amino-1-[4-[(2S,3S)-2-amino-3-methylpentanoyl]piperazin-1-yl]-3-methylpentan-1-one
CID 10667783
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-propylpentan-1-one
CID 114501573
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 103810273
2-amino-1-(3,4-dimethylpiperazin-1-yl)-3-methylpentan-1-one
CID 63634723

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methylpentan-1-one?
The IUPAC name of (2S)-2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methylpentan-1-one (CID 104940920) is (2S)-2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methylpentan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methylpentan-1-one?
The canonical SMILES for (2S)-2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methylpentan-1-one is CCC(C)[C@H](N)C(=O)N1CCC(O)C(C)C1.
What is the InChIKey of (2S)-2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methylpentan-1-one?
The InChIKey is FYNDQSPLSAFTSP-QUBJWBRDSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-8(2)11(13)12(16)14-6-5-10(15)9(3)7-14/h8-11,15H,4-7,13H2,1-3H3/t8?,9?,10?,11-/m0/s1.
What are the key properties of (2S)-2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methylpentan-1-one?
(2S)-2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methylpentan-1-one has a molecular weight of 228.34 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methylpentan-1-one is sourced from PubChem (CID 104940920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).