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

C10H18N2O4 — CID 102658160

IUPAC2-[1-(3-aminobutanoyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC(N)CC(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C10H18N2O4/c1-7(11)3-8(13)12-5-10(2,6-12)16-4-9(14)15/h7H,3-6,11H2,1-2H3,(H,14,15)
InChIKeyKIALBQGJYVEFGP-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.57
Rot. Bonds5

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

2-[1-(3-aminobutanoyl)-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102658160) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[1-(3-aminobutanoyl)-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(3-aminobutanoyl)-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102658160
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[1-(3-aminobutanoyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC(N)CC(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C10H18N2O4/c1-7(11)3-8(13)12-5-10(2,6-12)16-4-9(14)15/h7H,3-6,11H2,1-2H3,(H,14,15)
InChIKeyKIALBQGJYVEFGP-UHFFFAOYSA-N
XLogP-0.57
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-aminobutanoyl)-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(3-aminobutanoyl)-3-methylazetidin-3-yl]oxyacetic acid (CID 102658160) is 2-[1-(3-aminobutanoyl)-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(3-aminobutanoyl)-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(3-aminobutanoyl)-3-methylazetidin-3-yl]oxyacetic acid is CC(N)CC(=O)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[1-(3-aminobutanoyl)-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is KIALBQGJYVEFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-7(11)3-8(13)12-5-10(2,6-12)16-4-9(14)15/h7H,3-6,11H2,1-2H3,(H,14,15).
What are the key properties of 2-[1-(3-aminobutanoyl)-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-(3-aminobutanoyl)-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 230.26 g/mol, XLogP of -0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-aminobutanoyl)-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102658160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).