5-[(2-hydroxypentylamino)methyl]oxolane-2-carboxylic acid

C11H21NO4 — CID 103268448

IUPAC5-[(2-hydroxypentylamino)methyl]oxolane-2-carboxylic acid
SMILESCCCC(O)CNCC1CCC(C(=O)O)O1
InChIInChI=1S/C11H21NO4/c1-2-3-8(13)6-12-7-9-4-5-10(16-9)11(14)15/h8-10,12-13H,2-7H2,1H3,(H,14,15)
InChIKeyDEPLVGQJPAISQJ-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.37
Rot. Bonds7

About 5-[(2-hydroxypentylamino)methyl]oxolane-2-carboxylic acid

5-[(2-hydroxypentylamino)methyl]oxolane-2-carboxylic acid (PubChem CID 103268448) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 5-[(2-hydroxypentylamino)methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-hydroxypentylamino)methyl]oxolane-2-carboxylic acid
PubChem CID103268448
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name5-[(2-hydroxypentylamino)methyl]oxolane-2-carboxylic acid
SMILESCCCC(O)CNCC1CCC(C(=O)O)O1
InChIInChI=1S/C11H21NO4/c1-2-3-8(13)6-12-7-9-4-5-10(16-9)11(14)15/h8-10,12-13H,2-7H2,1H3,(H,14,15)
InChIKeyDEPLVGQJPAISQJ-UHFFFAOYSA-N
XLogP0.37
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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-[(2-methylpropylamino)methyl]oxolane-2-carboxylic acid
CID 103231044
5-[(2-ethylhexylamino)methyl]oxolane-2-carboxylic acid
CID 114004300
5-[[(3-methoxy-2-methylpropyl)amino]methyl]oxolane-2-carboxylic acid
CID 103245618
5-[(cyclopropylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103231164
5-[(hex-1-yn-3-ylamino)methyl]oxolane-2-carboxylic acid
CID 106231891
5-[(cyclohexylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103237849
5-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid
CID 103239200
5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid
CID 103237545
5-[(3-methylpentan-3-ylamino)methyl]oxolane-2-carboxylic acid
CID 106330184
5-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]oxolane-2-carboxylic acid
CID 103266670
5-[(4-hydroxypentan-2-ylamino)methyl]oxolane-2-carboxylic acid
CID 103263714
5-[[(4-methyloxan-4-yl)methylamino]methyl]oxolane-2-carboxylic acid
CID 114126034

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxypentylamino)methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(2-hydroxypentylamino)methyl]oxolane-2-carboxylic acid (CID 103268448) is 5-[(2-hydroxypentylamino)methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(2-hydroxypentylamino)methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(2-hydroxypentylamino)methyl]oxolane-2-carboxylic acid is CCCC(O)CNCC1CCC(C(=O)O)O1.
What is the InChIKey of 5-[(2-hydroxypentylamino)methyl]oxolane-2-carboxylic acid?
The InChIKey is DEPLVGQJPAISQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-2-3-8(13)6-12-7-9-4-5-10(16-9)11(14)15/h8-10,12-13H,2-7H2,1H3,(H,14,15).
What are the key properties of 5-[(2-hydroxypentylamino)methyl]oxolane-2-carboxylic acid?
5-[(2-hydroxypentylamino)methyl]oxolane-2-carboxylic acid has a molecular weight of 231.29 g/mol, XLogP of 0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxypentylamino)methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 103268448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).