2-[formyl(methyl)amino]-2-(5-methyloxolan-2-yl)acetic acid

C9H15NO4 — CID 82837052

IUPAC2-[formyl(methyl)amino]-2-(5-methyloxolan-2-yl)acetic acid
SMILESCC1CCC(C(C(=O)O)N(C)C=O)O1
InChIInChI=1S/C9H15NO4/c1-6-3-4-7(14-6)8(9(12)13)10(2)5-11/h5-8H,3-4H2,1-2H3,(H,12,13)
InChIKeyOFNWJCGAYVUCNY-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.10
Rot. Bonds4

About 2-[formyl(methyl)amino]-2-(5-methyloxolan-2-yl)acetic acid

2-[formyl(methyl)amino]-2-(5-methyloxolan-2-yl)acetic acid (PubChem CID 82837052) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-[formyl(methyl)amino]-2-(5-methyloxolan-2-yl)acetic acid.

Molecular Properties

Compound Name2-[formyl(methyl)amino]-2-(5-methyloxolan-2-yl)acetic acid
PubChem CID82837052
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-[formyl(methyl)amino]-2-(5-methyloxolan-2-yl)acetic acid
SMILESCC1CCC(C(C(=O)O)N(C)C=O)O1
InChIInChI=1S/C9H15NO4/c1-6-3-4-7(14-6)8(9(12)13)10(2)5-11/h5-8H,3-4H2,1-2H3,(H,12,13)
InChIKeyOFNWJCGAYVUCNY-UHFFFAOYSA-N
XLogP0.10
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[formyl(methyl)amino]-2-(5-methyloxolan-2-yl)acetic acid?
The IUPAC name of 2-[formyl(methyl)amino]-2-(5-methyloxolan-2-yl)acetic acid (CID 82837052) is 2-[formyl(methyl)amino]-2-(5-methyloxolan-2-yl)acetic acid.
What is the SMILES notation for 2-[formyl(methyl)amino]-2-(5-methyloxolan-2-yl)acetic acid?
The canonical SMILES for 2-[formyl(methyl)amino]-2-(5-methyloxolan-2-yl)acetic acid is CC1CCC(C(C(=O)O)N(C)C=O)O1.
What is the InChIKey of 2-[formyl(methyl)amino]-2-(5-methyloxolan-2-yl)acetic acid?
The InChIKey is OFNWJCGAYVUCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-6-3-4-7(14-6)8(9(12)13)10(2)5-11/h5-8H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2-[formyl(methyl)amino]-2-(5-methyloxolan-2-yl)acetic acid?
2-[formyl(methyl)amino]-2-(5-methyloxolan-2-yl)acetic acid has a molecular weight of 201.22 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl(methyl)amino]-2-(5-methyloxolan-2-yl)acetic acid is sourced from PubChem (CID 82837052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).