5-[(4-hydroxypentan-2-ylamino)methyl]oxolane-2-carboxylic acid

C11H21NO4 — CID 103263714

IUPAC5-[(4-hydroxypentan-2-ylamino)methyl]oxolane-2-carboxylic acid
SMILESCC(O)CC(C)NCC1CCC(C(=O)O)O1
InChIInChI=1S/C11H21NO4/c1-7(5-8(2)13)12-6-9-3-4-10(16-9)11(14)15/h7-10,12-13H,3-6H2,1-2H3,(H,14,15)
InChIKeySOZAARBXCYQMLK-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.37
Rot. Bonds6

About 5-[(4-hydroxypentan-2-ylamino)methyl]oxolane-2-carboxylic acid

5-[(4-hydroxypentan-2-ylamino)methyl]oxolane-2-carboxylic acid (PubChem CID 103263714) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 5-[(4-hydroxypentan-2-ylamino)methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-hydroxypentan-2-ylamino)methyl]oxolane-2-carboxylic acid
PubChem CID103263714
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name5-[(4-hydroxypentan-2-ylamino)methyl]oxolane-2-carboxylic acid
SMILESCC(O)CC(C)NCC1CCC(C(=O)O)O1
InChIInChI=1S/C11H21NO4/c1-7(5-8(2)13)12-6-9-3-4-10(16-9)11(14)15/h7-10,12-13H,3-6H2,1-2H3,(H,14,15)
InChIKeySOZAARBXCYQMLK-UHFFFAOYSA-N
XLogP0.37
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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-[(1-methylsulfanylpropan-2-ylamino)methyl]oxolane-2-carboxylic acid
CID 103266114
5-[(1-cyclopropylethylamino)methyl]oxolane-2-carboxylic acid
CID 103238552
5-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]oxolane-2-carboxylic acid
CID 103246270
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-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]oxolane-2-carboxylic acid
CID 103266670
5-[[(2-propan-2-yloxyacetyl)amino]methyl]oxolane-2-carboxylic acid
CID 112602301
5-[[(3-methoxy-2-methylpropyl)amino]methyl]oxolane-2-carboxylic acid
CID 103245618
5-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid
CID 103239200
5-[(hex-1-yn-3-ylamino)methyl]oxolane-2-carboxylic acid
CID 106231891
5-[(cyclopropylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103231164
5-[[(2-methylcyclopropyl)amino]methyl]oxolane-2-carboxylic acid
CID 103249911

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxypentan-2-ylamino)methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(4-hydroxypentan-2-ylamino)methyl]oxolane-2-carboxylic acid (CID 103263714) is 5-[(4-hydroxypentan-2-ylamino)methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(4-hydroxypentan-2-ylamino)methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(4-hydroxypentan-2-ylamino)methyl]oxolane-2-carboxylic acid is CC(O)CC(C)NCC1CCC(C(=O)O)O1.
What is the InChIKey of 5-[(4-hydroxypentan-2-ylamino)methyl]oxolane-2-carboxylic acid?
The InChIKey is SOZAARBXCYQMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-7(5-8(2)13)12-6-9-3-4-10(16-9)11(14)15/h7-10,12-13H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 5-[(4-hydroxypentan-2-ylamino)methyl]oxolane-2-carboxylic acid?
5-[(4-hydroxypentan-2-ylamino)methyl]oxolane-2-carboxylic acid has a molecular weight of 231.29 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxypentan-2-ylamino)methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 103263714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).