5-[[(3-methoxy-2-methylpropyl)amino]methyl]oxolane-2-carboxylic acid

C11H21NO4 — CID 103245618

IUPAC5-[[(3-methoxy-2-methylpropyl)amino]methyl]oxolane-2-carboxylic acid
SMILESCOCC(C)CNCC1CCC(C(=O)O)O1
InChIInChI=1S/C11H21NO4/c1-8(7-15-2)5-12-6-9-3-4-10(16-9)11(13)14/h8-10,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyBJRZLOXCURIPON-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.49
Rot. Bonds7

About 5-[[(3-methoxy-2-methylpropyl)amino]methyl]oxolane-2-carboxylic acid

5-[[(3-methoxy-2-methylpropyl)amino]methyl]oxolane-2-carboxylic acid (PubChem CID 103245618) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 5-[[(3-methoxy-2-methylpropyl)amino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(3-methoxy-2-methylpropyl)amino]methyl]oxolane-2-carboxylic acid
PubChem CID103245618
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name5-[[(3-methoxy-2-methylpropyl)amino]methyl]oxolane-2-carboxylic acid
SMILESCOCC(C)CNCC1CCC(C(=O)O)O1
InChIInChI=1S/C11H21NO4/c1-8(7-15-2)5-12-6-9-3-4-10(16-9)11(13)14/h8-10,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyBJRZLOXCURIPON-UHFFFAOYSA-N
XLogP0.49
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-methylpropylamino)methyl]oxolane-2-carboxylic acid
CID 103231044
5-[(cyclopropylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103231164
5-[(cyclohexylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103237849
5-[(2-hydroxypentylamino)methyl]oxolane-2-carboxylic acid
CID 103268448
5-[(1-cyclopropylethylamino)methyl]oxolane-2-carboxylic acid
CID 103238552
5-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid
CID 103239200
5-[[(2-propan-2-yloxyacetyl)amino]methyl]oxolane-2-carboxylic acid
CID 112602301
5-[(2-ethylhexylamino)methyl]oxolane-2-carboxylic acid
CID 114004300
5-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]oxolane-2-carboxylic acid
CID 103246270
5-[(1-methylsulfanylpropan-2-ylamino)methyl]oxolane-2-carboxylic acid
CID 103266114
5-[(4-hydroxypentan-2-ylamino)methyl]oxolane-2-carboxylic acid
CID 103263714
5-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolane-2-carboxylic acid
CID 82951624

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-methoxy-2-methylpropyl)amino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[(3-methoxy-2-methylpropyl)amino]methyl]oxolane-2-carboxylic acid (CID 103245618) is 5-[[(3-methoxy-2-methylpropyl)amino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[(3-methoxy-2-methylpropyl)amino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[(3-methoxy-2-methylpropyl)amino]methyl]oxolane-2-carboxylic acid is COCC(C)CNCC1CCC(C(=O)O)O1.
What is the InChIKey of 5-[[(3-methoxy-2-methylpropyl)amino]methyl]oxolane-2-carboxylic acid?
The InChIKey is BJRZLOXCURIPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-8(7-15-2)5-12-6-9-3-4-10(16-9)11(13)14/h8-10,12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 5-[[(3-methoxy-2-methylpropyl)amino]methyl]oxolane-2-carboxylic acid?
5-[[(3-methoxy-2-methylpropyl)amino]methyl]oxolane-2-carboxylic acid has a molecular weight of 231.29 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-methoxy-2-methylpropyl)amino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 103245618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).