2-[1-[2-(carbamoylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid

C10H17N3O5 — CID 102657209

IUPAC2-[1-[2-(carbamoylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC(NC(N)=O)C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C10H17N3O5/c1-6(12-9(11)17)8(16)13-4-10(2,5-13)18-3-7(14)15/h6H,3-5H2,1-2H3,(H,14,15)(H3,11,12,17)
InChIKeyMXTAXFQQBRJRLL-UHFFFAOYSA-N
MW259.26 g/mol
LogP-1.25
Rot. Bonds5

About 2-[1-[2-(carbamoylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid

2-[1-[2-(carbamoylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102657209) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-[1-[2-(carbamoylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[2-(carbamoylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102657209
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name2-[1-[2-(carbamoylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC(NC(N)=O)C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C10H17N3O5/c1-6(12-9(11)17)8(16)13-4-10(2,5-13)18-3-7(14)15/h6H,3-5H2,1-2H3,(H,14,15)(H3,11,12,17)
InChIKeyMXTAXFQQBRJRLL-UHFFFAOYSA-N
XLogP-1.25
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(carbamoylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-[2-(carbamoylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid (CID 102657209) is 2-[1-[2-(carbamoylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[2-(carbamoylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[2-(carbamoylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid is CC(NC(N)=O)C(=O)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[1-[2-(carbamoylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is MXTAXFQQBRJRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5/c1-6(12-9(11)17)8(16)13-4-10(2,5-13)18-3-7(14)15/h6H,3-5H2,1-2H3,(H,14,15)(H3,11,12,17).
What are the key properties of 2-[1-[2-(carbamoylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-[2-(carbamoylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 259.26 g/mol, XLogP of -1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(carbamoylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102657209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).