(2S)-2-amino-1-[(2S)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one

C10H20N2O2 — CID 129493927

IUPAC(2S)-2-amino-1-[(2S)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCCC[C@H]1[C@@H](C)O
InChIInChI=1S/C10H20N2O2/c1-7(11)10(14)12-6-4-3-5-9(12)8(2)13/h7-9,13H,3-6,11H2,1-2H3/t7-,8+,9-/m0/s1
InChIKeyAITSCCLOMFYXOU-YIZRAAEISA-N
MW200.28 g/mol
LogP0.10
Rot. Bonds2

About (2S)-2-amino-1-[(2S)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one

(2S)-2-amino-1-[(2S)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one (PubChem CID 129493927) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2S)-2-amino-1-[(2S)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[(2S)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
PubChem CID129493927
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(2S)-2-amino-1-[(2S)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCCC[C@H]1[C@@H](C)O
InChIInChI=1S/C10H20N2O2/c1-7(11)10(14)12-6-4-3-5-9(12)8(2)13/h7-9,13H,3-6,11H2,1-2H3/t7-,8+,9-/m0/s1
InChIKeyAITSCCLOMFYXOU-YIZRAAEISA-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

(2S)-2-amino-1-[(2R)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 129493925
1-[2-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 130621072
1-[(2R)-2-aminopropanoyl]azepane-2-carboxylic acid
CID 78996683
1-(2-aminopropanoyl)azepane-2-carboxylic acid
CID 64564461
1-[2-(1-aminoethyl)piperidin-1-yl]-2-methylsulfonylpropan-1-one
CID 112701185
N-[(2R)-1-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 124569304
N-[(2R)-1-[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 124569307
[2-(1-aminoethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79161243
tert-butyl 2-[(1R)-1-hydroxyethyl]piperidine-1-carboxylate
CID 130691829
tert-butyl (2S)-2-[(1S)-1-hydroxyethyl]piperidine-1-carboxylate
CID 94855628
4-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-4-oxobutanoic acid
CID 129371127
1-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 129371121

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[(2S)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-1-[(2S)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one (CID 129493927) is (2S)-2-amino-1-[(2S)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[(2S)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[(2S)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one is C[C@H](N)C(=O)N1CCCC[C@H]1[C@@H](C)O.
What is the InChIKey of (2S)-2-amino-1-[(2S)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one?
The InChIKey is AITSCCLOMFYXOU-YIZRAAEISA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7(11)10(14)12-6-4-3-5-9(12)8(2)13/h7-9,13H,3-6,11H2,1-2H3/t7-,8+,9-/m0/s1.
What are the key properties of (2S)-2-amino-1-[(2S)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one?
(2S)-2-amino-1-[(2S)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-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-[(2S)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 129493927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).