(2R,3R)-3-amino-2-hydroxy-1-piperidin-1-ylbutan-1-one;ethane

C11H24N2O2 — CID 90901764

IUPAC(2R,3R)-3-amino-2-hydroxy-1-piperidin-1-ylbutan-1-one;ethane
SMILESCC.C[C@@H](N)[C@@H](O)C(=O)N1CCCCC1
InChIInChI=1S/C9H18N2O2.C2H6/c1-7(10)8(12)9(13)11-5-3-2-4-6-11;1-2/h7-8,12H,2-6,10H2,1H3;1-2H3/t7-,8-;/m1./s1
InChIKeyKVKWDZFWPSWIMM-SCLLHFNJSA-N
MW216.32 g/mol
LogP0.73
Rot. Bonds2

About (2R,3R)-3-amino-2-hydroxy-1-piperidin-1-ylbutan-1-one;ethane

(2R,3R)-3-amino-2-hydroxy-1-piperidin-1-ylbutan-1-one;ethane (PubChem CID 90901764) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is (2R,3R)-3-amino-2-hydroxy-1-piperidin-1-ylbutan-1-one;ethane.

Molecular Properties

Compound Name(2R,3R)-3-amino-2-hydroxy-1-piperidin-1-ylbutan-1-one;ethane
PubChem CID90901764
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name(2R,3R)-3-amino-2-hydroxy-1-piperidin-1-ylbutan-1-one;ethane
SMILESCC.C[C@@H](N)[C@@H](O)C(=O)N1CCCCC1
InChIInChI=1S/C9H18N2O2.C2H6/c1-7(10)8(12)9(13)11-5-3-2-4-6-11;1-2/h7-8,12H,2-6,10H2,1H3;1-2H3/t7-,8-;/m1./s1
InChIKeyKVKWDZFWPSWIMM-SCLLHFNJSA-N
XLogP0.73
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,3R)-3-amino-2-hydroxy-1-piperidin-1-ylbutan-1-one;ethane 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

N-[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]cyclobutanecarboxamide
CID 71989064
4,4,4-trifluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)butanamide
CID 134435532
4,4,4-trifluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)butanamide
CID 134505567
2-Hydroxy-1-piperidin-1-ylbutan-1-one
CID 13224767
3-Amino-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 14210773
3-acetamido-2-hydroxy-N-methylbutanamide
CID 18728954
N-(3-hydroxy-4-oxopentan-2-yl)-1-methylpiperidine-4-carboxamide
CID 18734990
2-hydroxy-3-methyl-N-piperidin-4-ylbutanamide
CID 20267931
3-amino-N-ethyl-2-hydroxybutanamide
CID 20711961
2-Hydroxy-1-piperazin-1-ylbutan-1-one
CID 22953084
(S)-3-Hydroxy-1-piperidin-4-YL-pyrrolidin-2-one
CID 27282275
1-(4-((2-Hydroxyethyl)amino)piperidin-1-yl)ethanone
CID 43222665

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-amino-2-hydroxy-1-piperidin-1-ylbutan-1-one;ethane?
The IUPAC name of (2R,3R)-3-amino-2-hydroxy-1-piperidin-1-ylbutan-1-one;ethane (CID 90901764) is (2R,3R)-3-amino-2-hydroxy-1-piperidin-1-ylbutan-1-one;ethane.
What is the SMILES notation for (2R,3R)-3-amino-2-hydroxy-1-piperidin-1-ylbutan-1-one;ethane?
The canonical SMILES for (2R,3R)-3-amino-2-hydroxy-1-piperidin-1-ylbutan-1-one;ethane is CC.C[C@@H](N)[C@@H](O)C(=O)N1CCCCC1.
What is the InChIKey of (2R,3R)-3-amino-2-hydroxy-1-piperidin-1-ylbutan-1-one;ethane?
The InChIKey is KVKWDZFWPSWIMM-SCLLHFNJSA-N. The full InChI is InChI=1S/C9H18N2O2.C2H6/c1-7(10)8(12)9(13)11-5-3-2-4-6-11;1-2/h7-8,12H,2-6,10H2,1H3;1-2H3/t7-,8-;/m1./s1.
What are the key properties of (2R,3R)-3-amino-2-hydroxy-1-piperidin-1-ylbutan-1-one;ethane?
(2R,3R)-3-amino-2-hydroxy-1-piperidin-1-ylbutan-1-one;ethane has a molecular weight of 216.32 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-amino-2-hydroxy-1-piperidin-1-ylbutan-1-one;ethane is sourced from PubChem (CID 90901764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).