4-[methyl(oxolan-3-yl)amino]oxolane-3-carboxylic acid

C10H17NO4 — CID 66236190

IUPAC4-[methyl(oxolan-3-yl)amino]oxolane-3-carboxylic acid
SMILESCN(C1CCOC1)C1COCC1C(=O)O
InChIInChI=1S/C10H17NO4/c1-11(7-2-3-14-4-7)9-6-15-5-8(9)10(12)13/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeyQVWZCWPJFZHCEA-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.19
Rot. Bonds3

About 4-[methyl(oxolan-3-yl)amino]oxolane-3-carboxylic acid

4-[methyl(oxolan-3-yl)amino]oxolane-3-carboxylic acid (PubChem CID 66236190) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-[methyl(oxolan-3-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(oxolan-3-yl)amino]oxolane-3-carboxylic acid
PubChem CID66236190
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name4-[methyl(oxolan-3-yl)amino]oxolane-3-carboxylic acid
SMILESCN(C1CCOC1)C1COCC1C(=O)O
InChIInChI=1S/C10H17NO4/c1-11(7-2-3-14-4-7)9-6-15-5-8(9)10(12)13/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeyQVWZCWPJFZHCEA-UHFFFAOYSA-N
XLogP-0.19
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(oxolan-3-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl(oxolan-3-yl)amino]oxolane-3-carboxylic acid (CID 66236190) is 4-[methyl(oxolan-3-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl(oxolan-3-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl(oxolan-3-yl)amino]oxolane-3-carboxylic acid is CN(C1CCOC1)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl(oxolan-3-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is QVWZCWPJFZHCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-11(7-2-3-14-4-7)9-6-15-5-8(9)10(12)13/h7-9H,2-6H2,1H3,(H,12,13).
What are the key properties of 4-[methyl(oxolan-3-yl)amino]oxolane-3-carboxylic acid?
4-[methyl(oxolan-3-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(oxolan-3-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66236190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).