2-[1-[(2-amino-2-oxoethyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid

C9H15N3O5 — CID 102658457

IUPAC2-[1-[(2-amino-2-oxoethyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)NCC(N)=O)C1
InChIInChI=1S/C9H15N3O5/c1-9(17-3-7(14)15)4-12(5-9)8(16)11-2-6(10)13/h2-5H2,1H3,(H2,10,13)(H,11,16)(H,14,15)
InChIKeyUXGLPUGOSQYAIZ-UHFFFAOYSA-N
MW245.23 g/mol
LogP-1.64
Rot. Bonds5

About 2-[1-[(2-amino-2-oxoethyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid

2-[1-[(2-amino-2-oxoethyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102658457) has the molecular formula C9H15N3O5 and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-[1-[(2-amino-2-oxoethyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[(2-amino-2-oxoethyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102658457
Molecular FormulaC9H15N3O5
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Name2-[1-[(2-amino-2-oxoethyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)NCC(N)=O)C1
InChIInChI=1S/C9H15N3O5/c1-9(17-3-7(14)15)4-12(5-9)8(16)11-2-6(10)13/h2-5H2,1H3,(H2,10,13)(H,11,16)(H,14,15)
InChIKeyUXGLPUGOSQYAIZ-UHFFFAOYSA-N
XLogP-1.64
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-amino-2-oxoethyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-[(2-amino-2-oxoethyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid (CID 102658457) is 2-[1-[(2-amino-2-oxoethyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[(2-amino-2-oxoethyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[(2-amino-2-oxoethyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(C(=O)NCC(N)=O)C1.
What is the InChIKey of 2-[1-[(2-amino-2-oxoethyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is UXGLPUGOSQYAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O5/c1-9(17-3-7(14)15)4-12(5-9)8(16)11-2-6(10)13/h2-5H2,1H3,(H2,10,13)(H,11,16)(H,14,15).
What are the key properties of 2-[1-[(2-amino-2-oxoethyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-[(2-amino-2-oxoethyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 245.23 g/mol, XLogP of -1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-amino-2-oxoethyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102658457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).