(2S)-2-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide;hydrochloride

C12H24ClN3O2 — CID 119292063

IUPAC(2S)-2-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)NC(C)C(=O)N1CCCCC1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-3-10(13)11(16)14-9(2)12(17)15-7-5-4-6-8-15;/h9-10H,3-8,13H2,1-2H3,(H,14,16);1H/t9?,10-;/m0./s1
InChIKeyASPOMQYUVPFZAN-FTCYEJDNSA-N
MW277.80 g/mol
LogP0.66
Rot. Bonds4

About (2S)-2-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide;hydrochloride

(2S)-2-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide;hydrochloride (PubChem CID 119292063) has the molecular formula C12H24ClN3O2 and a molecular weight of 277.80 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide;hydrochloride
PubChem CID119292063
Molecular FormulaC12H24ClN3O2
Molecular Weight277.80 g/mol
Exact Mass277.16
IUPAC Name(2S)-2-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)NC(C)C(=O)N1CCCCC1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-3-10(13)11(16)14-9(2)12(17)15-7-5-4-6-8-15;/h9-10H,3-8,13H2,1-2H3,(H,14,16);1H/t9?,10-;/m0./s1
InChIKeyASPOMQYUVPFZAN-FTCYEJDNSA-N
XLogP0.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methoxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride
CID 120986585
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CID 61180719
2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 110280633
2-ethyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]butanamide
CID 95747727
(2R)-2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 79013484
2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 54863272
2-cyano-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 113408600
2-amino-2-ethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 79809452
2-(aminomethyl)-4,4-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide
CID 107471478
2-amino-3,3-dimethyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)butanamide
CID 113288460
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)cyclopentanecarboxamide
CID 42702289
2-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 93360859

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide;hydrochloride (CID 119292063) is (2S)-2-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide;hydrochloride is CC[C@H](N)C(=O)NC(C)C(=O)N1CCCCC1.Cl.
What is the InChIKey of (2S)-2-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide;hydrochloride?
The InChIKey is ASPOMQYUVPFZAN-FTCYEJDNSA-N. The full InChI is InChI=1S/C12H23N3O2.ClH/c1-3-10(13)11(16)14-9(2)12(17)15-7-5-4-6-8-15;/h9-10H,3-8,13H2,1-2H3,(H,14,16);1H/t9?,10-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide;hydrochloride?
(2S)-2-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide;hydrochloride is sourced from PubChem (CID 119292063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).