2-(dimethylamino)-N-(3,4,5-trihydroxy-2-oxopentyl)propanamide

C10H20N2O5 — CID 156664659

IUPAC2-(dimethylamino)-N-(3,4,5-trihydroxy-2-oxopentyl)propanamide
SMILESCC(C(=O)NCC(=O)C(O)C(O)CO)N(C)C
InChIInChI=1S/C10H20N2O5/c1-6(12(2)3)10(17)11-4-7(14)9(16)8(15)5-13/h6,8-9,13,15-16H,4-5H2,1-3H3,(H,11,17)
InChIKeyVEUJYJFBFOBFPC-UHFFFAOYSA-N
MW248.28 g/mol
LogP-2.66
Rot. Bonds7

About 2-(dimethylamino)-N-(3,4,5-trihydroxy-2-oxopentyl)propanamide

2-(dimethylamino)-N-(3,4,5-trihydroxy-2-oxopentyl)propanamide (PubChem CID 156664659) has the molecular formula C10H20N2O5 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(3,4,5-trihydroxy-2-oxopentyl)propanamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(3,4,5-trihydroxy-2-oxopentyl)propanamide
PubChem CID156664659
Molecular FormulaC10H20N2O5
Molecular Weight248.28 g/mol
Exact Mass248.14
IUPAC Name2-(dimethylamino)-N-(3,4,5-trihydroxy-2-oxopentyl)propanamide
SMILESCC(C(=O)NCC(=O)C(O)C(O)CO)N(C)C
InChIInChI=1S/C10H20N2O5/c1-6(12(2)3)10(17)11-4-7(14)9(16)8(15)5-13/h6,8-9,13,15-16H,4-5H2,1-3H3,(H,11,17)
InChIKeyVEUJYJFBFOBFPC-UHFFFAOYSA-N
XLogP-2.66
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-2.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(3,4,5-trihydroxy-2-oxopentyl)propanamide?
The IUPAC name of 2-(dimethylamino)-N-(3,4,5-trihydroxy-2-oxopentyl)propanamide (CID 156664659) is 2-(dimethylamino)-N-(3,4,5-trihydroxy-2-oxopentyl)propanamide.
What is the SMILES notation for 2-(dimethylamino)-N-(3,4,5-trihydroxy-2-oxopentyl)propanamide?
The canonical SMILES for 2-(dimethylamino)-N-(3,4,5-trihydroxy-2-oxopentyl)propanamide is CC(C(=O)NCC(=O)C(O)C(O)CO)N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-(3,4,5-trihydroxy-2-oxopentyl)propanamide?
The InChIKey is VEUJYJFBFOBFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5/c1-6(12(2)3)10(17)11-4-7(14)9(16)8(15)5-13/h6,8-9,13,15-16H,4-5H2,1-3H3,(H,11,17).
What are the key properties of 2-(dimethylamino)-N-(3,4,5-trihydroxy-2-oxopentyl)propanamide?
2-(dimethylamino)-N-(3,4,5-trihydroxy-2-oxopentyl)propanamide has a molecular weight of 248.28 g/mol, XLogP of -2.66, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(3,4,5-trihydroxy-2-oxopentyl)propanamide is sourced from PubChem (CID 156664659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).