1-[(2S)-2-aminopropanoyl]piperidin-3-one

C8H14N2O2 — CID 66564387

IUPAC1-[(2S)-2-aminopropanoyl]piperidin-3-one
SMILESC[C@H](N)C(=O)N1CCCC(=O)C1
InChIInChI=1S/C8H14N2O2/c1-6(9)8(12)10-4-2-3-7(11)5-10/h6H,2-5,9H2,1H3/t6-/m0/s1
InChIKeyORAVGFJSRBGLMC-LURJTMIESA-N
MW170.21 g/mol
LogP-0.47
Rot. Bonds1

About 1-[(2S)-2-aminopropanoyl]piperidin-3-one

1-[(2S)-2-aminopropanoyl]piperidin-3-one (PubChem CID 66564387) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-[(2S)-2-aminopropanoyl]piperidin-3-one.

Molecular Properties

Compound Name1-[(2S)-2-aminopropanoyl]piperidin-3-one
PubChem CID66564387
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1-[(2S)-2-aminopropanoyl]piperidin-3-one
SMILESC[C@H](N)C(=O)N1CCCC(=O)C1
InChIInChI=1S/C8H14N2O2/c1-6(9)8(12)10-4-2-3-7(11)5-10/h6H,2-5,9H2,1H3/t6-/m0/s1
InChIKeyORAVGFJSRBGLMC-LURJTMIESA-N
XLogP-0.47
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride
CID 53484454
(2S)-2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride
CID 53484456
1-(6-methylheptanoyl)piperidin-3-one
CID 115277157
4-(2-aminopropanoyl)piperazine-2,6-dione
CID 66084211
4-[(2R)-2-aminopropanoyl]-1-cyclopropylpiperazin-2-one
CID 119326508
(2S)-2-amino-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 28745499
1-[(2S)-2-aminopropanoyl]-1,4-diazepan-5-one
CID 78919914
1-(2,2-dimethylcyclopropanecarbonyl)piperidin-3-one
CID 107001623
1-[2-(1-methylcyclopropyl)acetyl]piperidin-3-one
CID 130943642
(2S)-2-amino-1-[(3R)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93086372
2-amino-1-(3-chloropiperidin-1-yl)propan-1-one
CID 77143696
2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride
CID 130694728

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-aminopropanoyl]piperidin-3-one?
The IUPAC name of 1-[(2S)-2-aminopropanoyl]piperidin-3-one (CID 66564387) is 1-[(2S)-2-aminopropanoyl]piperidin-3-one.
What is the SMILES notation for 1-[(2S)-2-aminopropanoyl]piperidin-3-one?
The canonical SMILES for 1-[(2S)-2-aminopropanoyl]piperidin-3-one is C[C@H](N)C(=O)N1CCCC(=O)C1.
What is the InChIKey of 1-[(2S)-2-aminopropanoyl]piperidin-3-one?
The InChIKey is ORAVGFJSRBGLMC-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6(9)8(12)10-4-2-3-7(11)5-10/h6H,2-5,9H2,1H3/t6-/m0/s1.
What are the key properties of 1-[(2S)-2-aminopropanoyl]piperidin-3-one?
1-[(2S)-2-aminopropanoyl]piperidin-3-one has a molecular weight of 170.21 g/mol, XLogP of -0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-aminopropanoyl]piperidin-3-one is sourced from PubChem (CID 66564387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).