5-(oxiran-2-ylmethylamino)-5-oxopentanoic acid

C8H13NO4 — CID 102548386

IUPAC5-(oxiran-2-ylmethylamino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCC1CO1
InChIInChI=1S/C8H13NO4/c10-7(2-1-3-8(11)12)9-4-6-5-13-6/h6H,1-5H2,(H,9,10)(H,11,12)
InChIKeyHXGRRAMDALTJGL-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.24
Rot. Bonds6

About 5-(oxiran-2-ylmethylamino)-5-oxopentanoic acid

5-(oxiran-2-ylmethylamino)-5-oxopentanoic acid (PubChem CID 102548386) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 5-(oxiran-2-ylmethylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(oxiran-2-ylmethylamino)-5-oxopentanoic acid
PubChem CID102548386
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name5-(oxiran-2-ylmethylamino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCC1CO1
InChIInChI=1S/C8H13NO4/c10-7(2-1-3-8(11)12)9-4-6-5-13-6/h6H,1-5H2,(H,9,10)(H,11,12)
InChIKeyHXGRRAMDALTJGL-UHFFFAOYSA-N
XLogP-0.24
TPSA78.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

5-(1,4-dioxan-2-ylmethylamino)-5-oxopentanoic acid
CID 61023561
N,N'-bis(oxiran-2-ylmethyl)butanediamide
CID 175178142
N-(oxiran-2-ylmethyl)-8-sulfanyloctanamide
CID 166028734
N-[[(2R)-oxiran-2-yl]methyl]butanamide
CID 97180860
6-oxo-6-(oxolan-2-ylmethylamino)hexanoic acid
CID 43529693
5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-oxopentanoic acid
CID 107388957
6-(oxan-2-ylmethylamino)-6-oxohexanoic acid
CID 55014045
6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-oxohexanoic acid
CID 107388938
5-(cyclobutylmethylamino)-5-oxopentanoic acid
CID 43529068
N-(oxiran-2-ylmethyl)-2-sulfanylacetamide
CID 174615641
6-oxo-6-(oxolan-3-ylmethylamino)hexanoic acid
CID 60919659
5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid
CID 63243932

Frequently Asked Questions

What is the IUPAC name of 5-(oxiran-2-ylmethylamino)-5-oxopentanoic acid?
The IUPAC name of 5-(oxiran-2-ylmethylamino)-5-oxopentanoic acid (CID 102548386) is 5-(oxiran-2-ylmethylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(oxiran-2-ylmethylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-(oxiran-2-ylmethylamino)-5-oxopentanoic acid is O=C(O)CCCC(=O)NCC1CO1.
What is the InChIKey of 5-(oxiran-2-ylmethylamino)-5-oxopentanoic acid?
The InChIKey is HXGRRAMDALTJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c10-7(2-1-3-8(11)12)9-4-6-5-13-6/h6H,1-5H2,(H,9,10)(H,11,12).
What are the key properties of 5-(oxiran-2-ylmethylamino)-5-oxopentanoic acid?
5-(oxiran-2-ylmethylamino)-5-oxopentanoic acid has a molecular weight of 187.19 g/mol, XLogP of -0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxiran-2-ylmethylamino)-5-oxopentanoic acid is sourced from PubChem (CID 102548386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).