4-[methyl(2-propoxyethyl)amino]oxolane-3-carboxylic acid

C11H21NO4 — CID 106454746

IUPAC4-[methyl(2-propoxyethyl)amino]oxolane-3-carboxylic acid
SMILESCCCOCCN(C)C1COCC1C(=O)O
InChIInChI=1S/C11H21NO4/c1-3-5-15-6-4-12(2)10-8-16-7-9(10)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyXALHNWZKWNLSCN-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.44
Rot. Bonds7

About 4-[methyl(2-propoxyethyl)amino]oxolane-3-carboxylic acid

4-[methyl(2-propoxyethyl)amino]oxolane-3-carboxylic acid (PubChem CID 106454746) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 4-[methyl(2-propoxyethyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(2-propoxyethyl)amino]oxolane-3-carboxylic acid
PubChem CID106454746
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name4-[methyl(2-propoxyethyl)amino]oxolane-3-carboxylic acid
SMILESCCCOCCN(C)C1COCC1C(=O)O
InChIInChI=1S/C11H21NO4/c1-3-5-15-6-4-12(2)10-8-16-7-9(10)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyXALHNWZKWNLSCN-UHFFFAOYSA-N
XLogP0.44
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-methylamino]oxolane-3-carboxylic acid
CID 106991480
4-[[2-ethoxyethyl(methyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid
CID 81037296
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
CID 66267848
4-[2-(4-chlorophenoxy)ethyl-methylamino]oxolane-3-carboxylic acid
CID 66235220
4-[methyl(2-methylpentyl)amino]oxolane-3-carboxylic acid
CID 66236014
4-[methyl(3-methylsulfonylpropyl)amino]oxolane-3-carboxylic acid
CID 66236203
4-[methyl-[(4-methylcyclohexyl)methyl]amino]oxolane-3-carboxylic acid
CID 66266491
4-[methyl(3-phenylpropyl)amino]oxolane-3-carboxylic acid
CID 66235785
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[[3-(carbamoylamino)-3-oxopropyl]-methylamino]oxolane-3-carboxylic acid
CID 66236826
4-[3-ethoxypropyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66246291
4-[3-chloroprop-2-enyl(methyl)amino]oxolane-3-carboxylic acid
CID 77135519

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-propoxyethyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl(2-propoxyethyl)amino]oxolane-3-carboxylic acid (CID 106454746) is 4-[methyl(2-propoxyethyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl(2-propoxyethyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl(2-propoxyethyl)amino]oxolane-3-carboxylic acid is CCCOCCN(C)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl(2-propoxyethyl)amino]oxolane-3-carboxylic acid?
The InChIKey is XALHNWZKWNLSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-3-5-15-6-4-12(2)10-8-16-7-9(10)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 4-[methyl(2-propoxyethyl)amino]oxolane-3-carboxylic acid?
4-[methyl(2-propoxyethyl)amino]oxolane-3-carboxylic acid has a molecular weight of 231.29 g/mol, XLogP of 0.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-propoxyethyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 106454746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).