(2,5-dihydroxypyrrol-1-yl) 4-methoxy-2-methylbutanoate

C10H15NO5 — CID 91162639

IUPAC(2,5-dihydroxypyrrol-1-yl) 4-methoxy-2-methylbutanoate
SMILESCOCCC(C)C(=O)On1c(O)ccc1O
InChIInChI=1S/C10H15NO5/c1-7(5-6-15-2)10(14)16-11-8(12)3-4-9(11)13/h3-4,7,12-13H,5-6H2,1-2H3
InChIKeyGARNKFJVMOBXFL-UHFFFAOYSA-N
MW229.23 g/mol
LogP0.53
Rot. Bonds5

About (2,5-dihydroxypyrrol-1-yl) 4-methoxy-2-methylbutanoate

(2,5-dihydroxypyrrol-1-yl) 4-methoxy-2-methylbutanoate (PubChem CID 91162639) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 4-methoxy-2-methylbutanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 4-methoxy-2-methylbutanoate
PubChem CID91162639
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 4-methoxy-2-methylbutanoate
SMILESCOCCC(C)C(=O)On1c(O)ccc1O
InChIInChI=1S/C10H15NO5/c1-7(5-6-15-2)10(14)16-11-8(12)3-4-9(11)13/h3-4,7,12-13H,5-6H2,1-2H3
InChIKeyGARNKFJVMOBXFL-UHFFFAOYSA-N
XLogP0.53
TPSA80.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-O-(2,5-dihydroxypyrrol-1-yl) 1-O-(2-methoxyethyl) butanedioate
CID 90907971
1-(2-amino-5-methoxyphenyl)-4-methoxy-2-methylbutan-1-one
CID 116602601
azane;4-methoxy-2-methylbutanoic acid
CID 174560200
1-(1-aminocyclopropyl)-4-methoxy-2-methylbutan-1-one
CID 116576587
(2,5-dihydroxypyrrol-1-yl) 2-methylsulfonylethyl carbonate
CID 54485637
2-hydroxy-6-methoxy-4-methylhexan-3-one
CID 103451528
(2,5-dihydroxypyrrol-1-yl) 4-methyl-4-(3-methylbutoxy)pentanoate
CID 90930859
(2,5-dihydroxypyrrol-1-yl) 3-hydroxypropyl carbonate
CID 90710397
(2,5-dihydroxypyrrol-1-yl) (2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 54241207
3-(2,5-dihydroxypyrrol-1-yl)oxycarbonyl-2-methylidenehexanedioic acid
CID 91091411
1,5-dimethoxy-3-methyl-1-phenylpentan-2-one
CID 116751519
1-(4-amino-3-chlorophenyl)-4-methoxy-2-methylbutan-1-one
CID 116581862

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 4-methoxy-2-methylbutanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 4-methoxy-2-methylbutanoate (CID 91162639) is (2,5-dihydroxypyrrol-1-yl) 4-methoxy-2-methylbutanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 4-methoxy-2-methylbutanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 4-methoxy-2-methylbutanoate is COCCC(C)C(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 4-methoxy-2-methylbutanoate?
The InChIKey is GARNKFJVMOBXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-7(5-6-15-2)10(14)16-11-8(12)3-4-9(11)13/h3-4,7,12-13H,5-6H2,1-2H3.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 4-methoxy-2-methylbutanoate?
(2,5-dihydroxypyrrol-1-yl) 4-methoxy-2-methylbutanoate has a molecular weight of 229.23 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 4-methoxy-2-methylbutanoate is sourced from PubChem (CID 91162639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).