6-oxo-6-[(2-oxooxolan-3-yl)amino]hexanoic acid

C10H15NO5 — CID 65418345

IUPAC6-oxo-6-[(2-oxooxolan-3-yl)amino]hexanoic acid
SMILESO=C(O)CCCCC(=O)NC1CCOC1=O
InChIInChI=1S/C10H15NO5/c12-8(3-1-2-4-9(13)14)11-7-5-6-16-10(7)15/h7H,1-6H2,(H,11,12)(H,13,14)
InChIKeyMNOCJTXZUHOGJL-UHFFFAOYSA-N
MW229.23 g/mol
LogP0.06
Rot. Bonds6

About 6-oxo-6-[(2-oxooxolan-3-yl)amino]hexanoic acid

6-oxo-6-[(2-oxooxolan-3-yl)amino]hexanoic acid (PubChem CID 65418345) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is 6-oxo-6-[(2-oxooxolan-3-yl)amino]hexanoic acid.

Molecular Properties

Compound Name6-oxo-6-[(2-oxooxolan-3-yl)amino]hexanoic acid
PubChem CID65418345
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name6-oxo-6-[(2-oxooxolan-3-yl)amino]hexanoic acid
SMILESO=C(O)CCCCC(=O)NC1CCOC1=O
InChIInChI=1S/C10H15NO5/c12-8(3-1-2-4-9(13)14)11-7-5-6-16-10(7)15/h7H,1-6H2,(H,11,12)(H,13,14)
InChIKeyMNOCJTXZUHOGJL-UHFFFAOYSA-N
XLogP0.06
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-6-[(2-oxooxolan-3-yl)amino]hexanoic acid?
The IUPAC name of 6-oxo-6-[(2-oxooxolan-3-yl)amino]hexanoic acid (CID 65418345) is 6-oxo-6-[(2-oxooxolan-3-yl)amino]hexanoic acid.
What is the SMILES notation for 6-oxo-6-[(2-oxooxolan-3-yl)amino]hexanoic acid?
The canonical SMILES for 6-oxo-6-[(2-oxooxolan-3-yl)amino]hexanoic acid is O=C(O)CCCCC(=O)NC1CCOC1=O.
What is the InChIKey of 6-oxo-6-[(2-oxooxolan-3-yl)amino]hexanoic acid?
The InChIKey is MNOCJTXZUHOGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c12-8(3-1-2-4-9(13)14)11-7-5-6-16-10(7)15/h7H,1-6H2,(H,11,12)(H,13,14).
What are the key properties of 6-oxo-6-[(2-oxooxolan-3-yl)amino]hexanoic acid?
6-oxo-6-[(2-oxooxolan-3-yl)amino]hexanoic acid has a molecular weight of 229.23 g/mol, XLogP of 0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-6-[(2-oxooxolan-3-yl)amino]hexanoic acid is sourced from PubChem (CID 65418345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).