(2,5-dihydroxypyrrol-1-yl) 3-(2-methoxyethoxycarbonylamino)propanoate

C11H16N2O7 — CID 90832616

IUPAC(2,5-dihydroxypyrrol-1-yl) 3-(2-methoxyethoxycarbonylamino)propanoate
SMILESCOCCOC(=O)NCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C11H16N2O7/c1-18-6-7-19-11(17)12-5-4-10(16)20-13-8(14)2-3-9(13)15/h2-3,14-15H,4-7H2,1H3,(H,12,17)
InChIKeyMFHVXHIPBXAAAC-UHFFFAOYSA-N
MW288.26 g/mol
LogP-0.38
Rot. Bonds7

About (2,5-dihydroxypyrrol-1-yl) 3-(2-methoxyethoxycarbonylamino)propanoate

(2,5-dihydroxypyrrol-1-yl) 3-(2-methoxyethoxycarbonylamino)propanoate (PubChem CID 90832616) has the molecular formula C11H16N2O7 and a molecular weight of 288.26 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 3-(2-methoxyethoxycarbonylamino)propanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 3-(2-methoxyethoxycarbonylamino)propanoate
PubChem CID90832616
Molecular FormulaC11H16N2O7
Molecular Weight288.26 g/mol
Exact Mass288.10
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 3-(2-methoxyethoxycarbonylamino)propanoate
SMILESCOCCOC(=O)NCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C11H16N2O7/c1-18-6-7-19-11(17)12-5-4-10(16)20-13-8(14)2-3-9(13)15/h2-3,14-15H,4-7H2,1H3,(H,12,17)
InChIKeyMFHVXHIPBXAAAC-UHFFFAOYSA-N
XLogP-0.38
TPSA119.25 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-(2-methoxyethoxycarbonylamino)propanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-(2-methoxyethoxycarbonylamino)propanoate (CID 90832616) is (2,5-dihydroxypyrrol-1-yl) 3-(2-methoxyethoxycarbonylamino)propanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 3-(2-methoxyethoxycarbonylamino)propanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 3-(2-methoxyethoxycarbonylamino)propanoate is COCCOC(=O)NCCC(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 3-(2-methoxyethoxycarbonylamino)propanoate?
The InChIKey is MFHVXHIPBXAAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O7/c1-18-6-7-19-11(17)12-5-4-10(16)20-13-8(14)2-3-9(13)15/h2-3,14-15H,4-7H2,1H3,(H,12,17).
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 3-(2-methoxyethoxycarbonylamino)propanoate?
(2,5-dihydroxypyrrol-1-yl) 3-(2-methoxyethoxycarbonylamino)propanoate has a molecular weight of 288.26 g/mol, XLogP of -0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 3-(2-methoxyethoxycarbonylamino)propanoate is sourced from PubChem (CID 90832616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).