(2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one

C9H18N2O2 — CID 129380985

IUPAC(2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CC[C@@H](O)[C@@H](C)C1
InChIInChI=1S/C9H18N2O2/c1-6-5-11(4-3-8(6)12)9(13)7(2)10/h6-8,12H,3-5,10H2,1-2H3/t6-,7-,8+/m0/s1
InChIKeyYDIAUNXGMACNQT-BIIVOSGPSA-N
MW186.25 g/mol
LogP-0.44
Rot. Bonds1

About (2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one

(2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one (PubChem CID 129380985) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one
PubChem CID129380985
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CC[C@@H](O)[C@@H](C)C1
InChIInChI=1S/C9H18N2O2/c1-6-5-11(4-3-8(6)12)9(13)7(2)10/h6-8,12H,3-5,10H2,1-2H3/t6-,7-,8+/m0/s1
InChIKeyYDIAUNXGMACNQT-BIIVOSGPSA-N
XLogP-0.44
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methylpentan-1-one
CID 104940920
2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)pentan-1-one
CID 114678311
(2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 86323735
3-amino-4-(4-hydroxy-3-methylpiperidin-1-yl)-4-oxobutanoic acid
CID 114678426
(2R)-2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79180602
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79181117
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylsulfonylpropan-1-one
CID 114501575
2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)pent-4-en-1-one
CID 114678359
(2R)-2-amino-1-(3,5-dimethylazepan-1-yl)propan-1-one
CID 130747616
2-amino-1-[3-(aminomethyl)pyrrolidin-1-yl]propan-1-one
CID 131134494
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-propylpentan-1-one
CID 114501573
2-amino-1-(3-fluoro-4-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 130635409

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one (CID 129380985) is (2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one is C[C@H](N)C(=O)N1CC[C@@H](O)[C@@H](C)C1.
What is the InChIKey of (2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one?
The InChIKey is YDIAUNXGMACNQT-BIIVOSGPSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6-5-11(4-3-8(6)12)9(13)7(2)10/h6-8,12H,3-5,10H2,1-2H3/t6-,7-,8+/m0/s1.
What are the key properties of (2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one?
(2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one has a molecular weight of 186.25 g/mol, XLogP of -0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 129380985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).