(2R)-2-(1,4-dioxane-2-carbonylamino)hexanedioic acid

C11H17NO7 — CID 107831481

IUPAC(2R)-2-(1,4-dioxane-2-carbonylamino)hexanedioic acid
SMILESO=C(O)CCC[C@@H](NC(=O)C1COCCO1)C(=O)O
InChIInChI=1S/C11H17NO7/c13-9(14)3-1-2-7(11(16)17)12-10(15)8-6-18-4-5-19-8/h7-8H,1-6H2,(H,12,15)(H,13,14)(H,16,17)/t7-,8?/m1/s1
InChIKeyBUGDMACAIWOGKJ-GVHYBUMESA-N
MW275.26 g/mol
LogP-0.77
Rot. Bonds7

About (2R)-2-(1,4-dioxane-2-carbonylamino)hexanedioic acid

(2R)-2-(1,4-dioxane-2-carbonylamino)hexanedioic acid (PubChem CID 107831481) has the molecular formula C11H17NO7 and a molecular weight of 275.26 g/mol. Its IUPAC name is (2R)-2-(1,4-dioxane-2-carbonylamino)hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-(1,4-dioxane-2-carbonylamino)hexanedioic acid
PubChem CID107831481
Molecular FormulaC11H17NO7
Molecular Weight275.26 g/mol
Exact Mass275.10
IUPAC Name(2R)-2-(1,4-dioxane-2-carbonylamino)hexanedioic acid
SMILESO=C(O)CCC[C@@H](NC(=O)C1COCCO1)C(=O)O
InChIInChI=1S/C11H17NO7/c13-9(14)3-1-2-7(11(16)17)12-10(15)8-6-18-4-5-19-8/h7-8H,1-6H2,(H,12,15)(H,13,14)(H,16,17)/t7-,8?/m1/s1
InChIKeyBUGDMACAIWOGKJ-GVHYBUMESA-N
XLogP-0.77
TPSA122.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(1,4-dioxane-2-carbonylamino)-5-methoxy-5-oxopentanoic acid
CID 114004692
2-[[(2S)-oxolane-2-carbonyl]amino]pentanedioic acid
CID 104855552
(2R)-2-(cyclooctanecarbonylamino)hexanedioic acid
CID 107831603
3-(1,4-dioxane-2-carbonylamino)-4,4,4-trifluorobutanoic acid
CID 146135383
(2R)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]hexanedioic acid
CID 107841289
N-[(2R)-1-hydroxypropan-2-yl]-1,4-dioxane-2-carboxamide
CID 79028059
N-(1-amino-4-methylpentan-3-yl)-1,4-dioxane-2-carboxamide
CID 106356890
(2R)-2-[[2-(oxolan-2-yl)acetyl]amino]hexanedioic acid
CID 107831657
(2R)-2-(thiolane-2-carbonylamino)hexanedioic acid
CID 107831322
(2S)-2-(3-carboxypropanoylamino)hexanedioic acid
CID 134130455
(2R)-2-[(3-aminocyclopentanecarbonyl)amino]hexanedioic acid
CID 107835514
N-(1-chloro-4,4-dimethylpentan-3-yl)-1,4-dioxane-2-carboxamide
CID 106355533

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,4-dioxane-2-carbonylamino)hexanedioic acid?
The IUPAC name of (2R)-2-(1,4-dioxane-2-carbonylamino)hexanedioic acid (CID 107831481) is (2R)-2-(1,4-dioxane-2-carbonylamino)hexanedioic acid.
What is the SMILES notation for (2R)-2-(1,4-dioxane-2-carbonylamino)hexanedioic acid?
The canonical SMILES for (2R)-2-(1,4-dioxane-2-carbonylamino)hexanedioic acid is O=C(O)CCC[C@@H](NC(=O)C1COCCO1)C(=O)O.
What is the InChIKey of (2R)-2-(1,4-dioxane-2-carbonylamino)hexanedioic acid?
The InChIKey is BUGDMACAIWOGKJ-GVHYBUMESA-N. The full InChI is InChI=1S/C11H17NO7/c13-9(14)3-1-2-7(11(16)17)12-10(15)8-6-18-4-5-19-8/h7-8H,1-6H2,(H,12,15)(H,13,14)(H,16,17)/t7-,8?/m1/s1.
What are the key properties of (2R)-2-(1,4-dioxane-2-carbonylamino)hexanedioic acid?
(2R)-2-(1,4-dioxane-2-carbonylamino)hexanedioic acid has a molecular weight of 275.26 g/mol, XLogP of -0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,4-dioxane-2-carbonylamino)hexanedioic acid is sourced from PubChem (CID 107831481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).