2-[1-(3-amino-3-oxopropyl)azetidin-3-yl]propanoic acid

C9H16N2O3 — CID 116684049

IUPAC2-[1-(3-amino-3-oxopropyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(CCC(N)=O)C1
InChIInChI=1S/C9H16N2O3/c1-6(9(13)14)7-4-11(5-7)3-2-8(10)12/h6-7H,2-5H2,1H3,(H2,10,12)(H,13,14)
InChIKeyDBZKLDUSCLSFAG-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.49
Rot. Bonds5

About 2-[1-(3-amino-3-oxopropyl)azetidin-3-yl]propanoic acid

2-[1-(3-amino-3-oxopropyl)azetidin-3-yl]propanoic acid (PubChem CID 116684049) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[1-(3-amino-3-oxopropyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(3-amino-3-oxopropyl)azetidin-3-yl]propanoic acid
PubChem CID116684049
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-[1-(3-amino-3-oxopropyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(CCC(N)=O)C1
InChIInChI=1S/C9H16N2O3/c1-6(9(13)14)7-4-11(5-7)3-2-8(10)12/h6-7H,2-5H2,1H3,(H2,10,12)(H,13,14)
InChIKeyDBZKLDUSCLSFAG-UHFFFAOYSA-N
XLogP-0.49
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-amino-3-oxopropyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(3-amino-3-oxopropyl)azetidin-3-yl]propanoic acid (CID 116684049) is 2-[1-(3-amino-3-oxopropyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(3-amino-3-oxopropyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(3-amino-3-oxopropyl)azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(CCC(N)=O)C1.
What is the InChIKey of 2-[1-(3-amino-3-oxopropyl)azetidin-3-yl]propanoic acid?
The InChIKey is DBZKLDUSCLSFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6(9(13)14)7-4-11(5-7)3-2-8(10)12/h6-7H,2-5H2,1H3,(H2,10,12)(H,13,14).
What are the key properties of 2-[1-(3-amino-3-oxopropyl)azetidin-3-yl]propanoic acid?
2-[1-(3-amino-3-oxopropyl)azetidin-3-yl]propanoic acid has a molecular weight of 200.24 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-amino-3-oxopropyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116684049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).