4-amino-5-(3-hydroxy-3-methylazetidin-1-yl)-5-oxopentanoic acid

C9H16N2O4 — CID 107219249

IUPAC4-amino-5-(3-hydroxy-3-methylazetidin-1-yl)-5-oxopentanoic acid
SMILESCC1(O)CN(C(=O)C(N)CCC(=O)O)C1
InChIInChI=1S/C9H16N2O4/c1-9(15)4-11(5-9)8(14)6(10)2-3-7(12)13/h6,15H,2-5,10H2,1H3,(H,12,13)
InChIKeyJOXZYGXBDROHQO-UHFFFAOYSA-N
MW216.24 g/mol
LogP-1.23
Rot. Bonds4

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

4-amino-5-(3-hydroxy-3-methylazetidin-1-yl)-5-oxopentanoic acid (PubChem CID 107219249) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-amino-5-(3-hydroxy-3-methylazetidin-1-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-(3-hydroxy-3-methylazetidin-1-yl)-5-oxopentanoic acid
PubChem CID107219249
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name4-amino-5-(3-hydroxy-3-methylazetidin-1-yl)-5-oxopentanoic acid
SMILESCC1(O)CN(C(=O)C(N)CCC(=O)O)C1
InChIInChI=1S/C9H16N2O4/c1-9(15)4-11(5-9)8(14)6(10)2-3-7(12)13/h6,15H,2-5,10H2,1H3,(H,12,13)
InChIKeyJOXZYGXBDROHQO-UHFFFAOYSA-N
XLogP-1.23
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.23
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-hydroxy-3-methylazetidin-1-yl)-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-(3-hydroxy-3-methylazetidin-1-yl)-5-oxopentanoic acid (CID 107219249) is 4-amino-5-(3-hydroxy-3-methylazetidin-1-yl)-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-(3-hydroxy-3-methylazetidin-1-yl)-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-(3-hydroxy-3-methylazetidin-1-yl)-5-oxopentanoic acid is CC1(O)CN(C(=O)C(N)CCC(=O)O)C1.
What is the InChIKey of 4-amino-5-(3-hydroxy-3-methylazetidin-1-yl)-5-oxopentanoic acid?
The InChIKey is JOXZYGXBDROHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-9(15)4-11(5-9)8(14)6(10)2-3-7(12)13/h6,15H,2-5,10H2,1H3,(H,12,13).
What are the key properties of 4-amino-5-(3-hydroxy-3-methylazetidin-1-yl)-5-oxopentanoic acid?
4-amino-5-(3-hydroxy-3-methylazetidin-1-yl)-5-oxopentanoic acid has a molecular weight of 216.24 g/mol, XLogP of -1.23, 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-hydroxy-3-methylazetidin-1-yl)-5-oxopentanoic acid is sourced from PubChem (CID 107219249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).