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

C10H20N2O2 — CID 104876680

IUPAC(2S)-2-amino-1-(3-hydroxy-3-methylpiperidin-1-yl)butan-1-one
SMILESCC[C@H](N)C(=O)N1CCCC(C)(O)C1
InChIInChI=1S/C10H20N2O2/c1-3-8(11)9(13)12-6-4-5-10(2,14)7-12/h8,14H,3-7,11H2,1-2H3/t8-,10?/m0/s1
InChIKeyMXNSRDPKMFHNKN-PEHGTWAWSA-N
MW200.28 g/mol
LogP0.10
Rot. Bonds2

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

(2S)-2-amino-1-(3-hydroxy-3-methylpiperidin-1-yl)butan-1-one (PubChem CID 104876680) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2S)-2-amino-1-(3-hydroxy-3-methylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(3-hydroxy-3-methylpiperidin-1-yl)butan-1-one
PubChem CID104876680
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(2S)-2-amino-1-(3-hydroxy-3-methylpiperidin-1-yl)butan-1-one
SMILESCC[C@H](N)C(=O)N1CCCC(C)(O)C1
InChIInChI=1S/C10H20N2O2/c1-3-8(11)9(13)12-6-4-5-10(2,14)7-12/h8,14H,3-7,11H2,1-2H3/t8-,10?/m0/s1
InChIKeyMXNSRDPKMFHNKN-PEHGTWAWSA-N
XLogP0.10
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)butan-1-one
CID 103356010
2-(aminomethyl)-1-(3-hydroxy-3-methylpiperidin-1-yl)-4,4-dimethylpentan-1-one
CID 107472778
(2R)-2-amino-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one
CID 118444601
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-1-(3-hydroxy-3-methylpiperidin-1-yl)propan-1-one
CID 104876695
(2S)-2-amino-1-(4-hydroxy-4-methylazepan-1-yl)-4-methylpentan-1-one
CID 107404240
(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)butan-1-one
CID 79022697
2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103355859
1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-4-carboxylic acid
CID 79023198
[1-(3-hydroxy-3-methylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]urea
CID 115875377
(2R)-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 104876769
(2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-4-methylpentan-1-one
CID 119789099
2-ethoxy-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115874750

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(3-hydroxy-3-methylpiperidin-1-yl)butan-1-one?
The IUPAC name of (2S)-2-amino-1-(3-hydroxy-3-methylpiperidin-1-yl)butan-1-one (CID 104876680) is (2S)-2-amino-1-(3-hydroxy-3-methylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(3-hydroxy-3-methylpiperidin-1-yl)butan-1-one?
The canonical SMILES for (2S)-2-amino-1-(3-hydroxy-3-methylpiperidin-1-yl)butan-1-one is CC[C@H](N)C(=O)N1CCCC(C)(O)C1.
What is the InChIKey of (2S)-2-amino-1-(3-hydroxy-3-methylpiperidin-1-yl)butan-1-one?
The InChIKey is MXNSRDPKMFHNKN-PEHGTWAWSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-8(11)9(13)12-6-4-5-10(2,14)7-12/h8,14H,3-7,11H2,1-2H3/t8-,10?/m0/s1.
What are the key properties of (2S)-2-amino-1-(3-hydroxy-3-methylpiperidin-1-yl)butan-1-one?
(2S)-2-amino-1-(3-hydroxy-3-methylpiperidin-1-yl)butan-1-one has a molecular weight of 200.28 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(3-hydroxy-3-methylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 104876680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).