5-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]oxolane-2-carboxylic acid

C11H21NO4 — CID 103266670

IUPAC5-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]oxolane-2-carboxylic acid
SMILESCC(O)C(C)(C)NCC1CCC(C(=O)O)O1
InChIInChI=1S/C11H21NO4/c1-7(13)11(2,3)12-6-8-4-5-9(16-8)10(14)15/h7-9,12-13H,4-6H2,1-3H3,(H,14,15)
InChIKeyMIBVHABWIDLRKG-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.37
Rot. Bonds5

About 5-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]oxolane-2-carboxylic acid

5-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]oxolane-2-carboxylic acid (PubChem CID 103266670) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 5-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]oxolane-2-carboxylic acid
PubChem CID103266670
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name5-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]oxolane-2-carboxylic acid
SMILESCC(O)C(C)(C)NCC1CCC(C(=O)O)O1
InChIInChI=1S/C11H21NO4/c1-7(13)11(2,3)12-6-8-4-5-9(16-8)10(14)15/h7-9,12-13H,4-6H2,1-3H3,(H,14,15)
InChIKeyMIBVHABWIDLRKG-UHFFFAOYSA-N
XLogP0.37
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-methylpentan-3-ylamino)methyl]oxolane-2-carboxylic acid
CID 106330184
5-[[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]methyl]oxolane-2-carboxylic acid
CID 103262784
5-[(2-methylpropylamino)methyl]oxolane-2-carboxylic acid
CID 103231044
5-[(4-hydroxypentan-2-ylamino)methyl]oxolane-2-carboxylic acid
CID 103263714
5-[(3,3-dimethylbutan-2-ylcarbamoylamino)methyl]oxolane-2-carboxylic acid
CID 113457975
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-[[[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
(2R,5S)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylic acid
CID 96837502
5-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]oxolane-2-carboxylic acid
CID 106149085

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]oxolane-2-carboxylic acid (CID 103266670) is 5-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]oxolane-2-carboxylic acid is CC(O)C(C)(C)NCC1CCC(C(=O)O)O1.
What is the InChIKey of 5-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]oxolane-2-carboxylic acid?
The InChIKey is MIBVHABWIDLRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-7(13)11(2,3)12-6-8-4-5-9(16-8)10(14)15/h7-9,12-13H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 5-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]oxolane-2-carboxylic acid?
5-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]oxolane-2-carboxylic acid has a molecular weight of 231.29 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 103266670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).