4-amino-5-(3-hydroxyazetidin-1-yl)-5-oxopentanoic acid

C8H14N2O4 — CID 107217500

IUPAC4-amino-5-(3-hydroxyazetidin-1-yl)-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)N1CC(O)C1
InChIInChI=1S/C8H14N2O4/c9-6(1-2-7(12)13)8(14)10-3-5(11)4-10/h5-6,11H,1-4,9H2,(H,12,13)
InChIKeyMLDJVYFMXCZAKZ-UHFFFAOYSA-N
MW202.21 g/mol
LogP-1.62
Rot. Bonds4

About 4-amino-5-(3-hydroxyazetidin-1-yl)-5-oxopentanoic acid

4-amino-5-(3-hydroxyazetidin-1-yl)-5-oxopentanoic acid (PubChem CID 107217500) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-amino-5-(3-hydroxyazetidin-1-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-(3-hydroxyazetidin-1-yl)-5-oxopentanoic acid
PubChem CID107217500
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name4-amino-5-(3-hydroxyazetidin-1-yl)-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)N1CC(O)C1
InChIInChI=1S/C8H14N2O4/c9-6(1-2-7(12)13)8(14)10-3-5(11)4-10/h5-6,11H,1-4,9H2,(H,12,13)
InChIKeyMLDJVYFMXCZAKZ-UHFFFAOYSA-N
XLogP-1.62
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(3-hydroxyazetidin-1-yl)-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-(3-hydroxyazetidin-1-yl)-5-oxopentanoic acid (CID 107217500) is 4-amino-5-(3-hydroxyazetidin-1-yl)-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-(3-hydroxyazetidin-1-yl)-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-(3-hydroxyazetidin-1-yl)-5-oxopentanoic acid is NC(CCC(=O)O)C(=O)N1CC(O)C1.
What is the InChIKey of 4-amino-5-(3-hydroxyazetidin-1-yl)-5-oxopentanoic acid?
The InChIKey is MLDJVYFMXCZAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c9-6(1-2-7(12)13)8(14)10-3-5(11)4-10/h5-6,11H,1-4,9H2,(H,12,13).
What are the key properties of 4-amino-5-(3-hydroxyazetidin-1-yl)-5-oxopentanoic acid?
4-amino-5-(3-hydroxyazetidin-1-yl)-5-oxopentanoic acid has a molecular weight of 202.21 g/mol, XLogP of -1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(3-hydroxyazetidin-1-yl)-5-oxopentanoic acid is sourced from PubChem (CID 107217500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).