3-(2,5-dihydroxypyrrol-1-yl)-2-methoxypropanoic acid

C8H11NO5 — CID 54096059

IUPAC3-(2,5-dihydroxypyrrol-1-yl)-2-methoxypropanoic acid
SMILESCOC(Cn1c(O)ccc1O)C(=O)O
InChIInChI=1S/C8H11NO5/c1-14-5(8(12)13)4-9-6(10)2-3-7(9)11/h2-3,5,10-11H,4H2,1H3,(H,12,13)
InChIKeyMXEJCDDVDJEMAM-UHFFFAOYSA-N
MW201.18 g/mol
LogP-0.00
Rot. Bonds4

About 3-(2,5-dihydroxypyrrol-1-yl)-2-methoxypropanoic acid

3-(2,5-dihydroxypyrrol-1-yl)-2-methoxypropanoic acid (PubChem CID 54096059) has the molecular formula C8H11NO5 and a molecular weight of 201.18 g/mol. Its IUPAC name is 3-(2,5-dihydroxypyrrol-1-yl)-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-(2,5-dihydroxypyrrol-1-yl)-2-methoxypropanoic acid
PubChem CID54096059
Molecular FormulaC8H11NO5
Molecular Weight201.18 g/mol
Exact Mass201.06
IUPAC Name3-(2,5-dihydroxypyrrol-1-yl)-2-methoxypropanoic acid
SMILESCOC(Cn1c(O)ccc1O)C(=O)O
InChIInChI=1S/C8H11NO5/c1-14-5(8(12)13)4-9-6(10)2-3-7(9)11/h2-3,5,10-11H,4H2,1H3,(H,12,13)
InChIKeyMXEJCDDVDJEMAM-UHFFFAOYSA-N
XLogP-0.00
TPSA91.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,5-Dihydroxypyrrol-1-yl)propanoic acid
CID 53739330
2-Acetyloxy-2-(2,5-dihydroxypyrrol-1-yl)acetic acid
CID 53657203
Disulfanyl 3-(2,5-dihydroxypyrrol-1-yl)propanoate
CID 53667797
1-(2,5-Dihydroxypyrrol-1-yl)propan-2-yl prop-2-enoate
CID 53780779
1-(2,5-Dihydroxypyrrol-1-yl)-2-ethoxyethanone
CID 53803867
(2,5-Dihydroxypyrrol-1-yl) 2-methoxypropanoate
CID 53828897
(2,5-Dihydroxypyrrol-1-yl) 2-hydroxypropanoate
CID 53851847
4-(2,5-Dihydroxypyrrol-1-yl)butanoic acid
CID 53867299
Tert-butyl 2-(2,5-dihydroxypyrrol-1-yl)acetate
CID 53877464
(2S)-2-(2,5-dihydroxypyrrol-1-yl)-4-hydroxybutanoic acid
CID 53877717
(2R)-2-(2,5-dihydroxypyrrol-1-yl)-2-methoxypropanoic acid
CID 53882026
3-(2,5-Dihydroxypyrrol-1-yl)-2,2-dimethylpropanoic acid
CID 53929637

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydroxypyrrol-1-yl)-2-methoxypropanoic acid?
The IUPAC name of 3-(2,5-dihydroxypyrrol-1-yl)-2-methoxypropanoic acid (CID 54096059) is 3-(2,5-dihydroxypyrrol-1-yl)-2-methoxypropanoic acid.
What is the SMILES notation for 3-(2,5-dihydroxypyrrol-1-yl)-2-methoxypropanoic acid?
The canonical SMILES for 3-(2,5-dihydroxypyrrol-1-yl)-2-methoxypropanoic acid is COC(Cn1c(O)ccc1O)C(=O)O.
What is the InChIKey of 3-(2,5-dihydroxypyrrol-1-yl)-2-methoxypropanoic acid?
The InChIKey is MXEJCDDVDJEMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO5/c1-14-5(8(12)13)4-9-6(10)2-3-7(9)11/h2-3,5,10-11H,4H2,1H3,(H,12,13).
What are the key properties of 3-(2,5-dihydroxypyrrol-1-yl)-2-methoxypropanoic acid?
3-(2,5-dihydroxypyrrol-1-yl)-2-methoxypropanoic acid has a molecular weight of 201.18 g/mol, XLogP of -0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydroxypyrrol-1-yl)-2-methoxypropanoic acid is sourced from PubChem (CID 54096059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).