2-[(2-oxooxolan-3-yl)amino]propanoic acid

C7H11NO4 — CID 14819286

IUPAC2-[(2-oxooxolan-3-yl)amino]propanoic acid
SMILESCC(NC1CCOC1=O)C(=O)O
InChIInChI=1S/C7H11NO4/c1-4(6(9)10)8-5-2-3-12-7(5)11/h4-5,8H,2-3H2,1H3,(H,9,10)
InChIKeyZDWBOEDPRMQQPZ-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.64
Rot. Bonds3

About 2-[(2-oxooxolan-3-yl)amino]propanoic acid

2-[(2-oxooxolan-3-yl)amino]propanoic acid (PubChem CID 14819286) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-[(2-oxooxolan-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-oxooxolan-3-yl)amino]propanoic acid
PubChem CID14819286
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name2-[(2-oxooxolan-3-yl)amino]propanoic acid
SMILESCC(NC1CCOC1=O)C(=O)O
InChIInChI=1S/C7H11NO4/c1-4(6(9)10)8-5-2-3-12-7(5)11/h4-5,8H,2-3H2,1H3,(H,9,10)
InChIKeyZDWBOEDPRMQQPZ-UHFFFAOYSA-N
XLogP-0.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxooxolan-3-yl)amino]propanoic acid?
The IUPAC name of 2-[(2-oxooxolan-3-yl)amino]propanoic acid (CID 14819286) is 2-[(2-oxooxolan-3-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(2-oxooxolan-3-yl)amino]propanoic acid?
The canonical SMILES for 2-[(2-oxooxolan-3-yl)amino]propanoic acid is CC(NC1CCOC1=O)C(=O)O.
What is the InChIKey of 2-[(2-oxooxolan-3-yl)amino]propanoic acid?
The InChIKey is ZDWBOEDPRMQQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-4(6(9)10)8-5-2-3-12-7(5)11/h4-5,8H,2-3H2,1H3,(H,9,10).
What are the key properties of 2-[(2-oxooxolan-3-yl)amino]propanoic acid?
2-[(2-oxooxolan-3-yl)amino]propanoic acid has a molecular weight of 173.17 g/mol, XLogP of -0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxooxolan-3-yl)amino]propanoic acid is sourced from PubChem (CID 14819286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).