(2,5-dihydroxypyrrol-1-yl) 5-oxo-5-(prop-2-enylamino)pentanoate

C12H16N2O5 — CID 91221904

IUPAC(2,5-dihydroxypyrrol-1-yl) 5-oxo-5-(prop-2-enylamino)pentanoate
SMILESC=CCNC(=O)CCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C12H16N2O5/c1-2-8-13-9(15)4-3-5-12(18)19-14-10(16)6-7-11(14)17/h2,6-7,16-17H,1,3-5,8H2,(H,13,15)
InChIKeyWYNSGUOEJJOOOF-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.33
Rot. Bonds7

About (2,5-dihydroxypyrrol-1-yl) 5-oxo-5-(prop-2-enylamino)pentanoate

(2,5-dihydroxypyrrol-1-yl) 5-oxo-5-(prop-2-enylamino)pentanoate (PubChem CID 91221904) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 5-oxo-5-(prop-2-enylamino)pentanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 5-oxo-5-(prop-2-enylamino)pentanoate
PubChem CID91221904
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 5-oxo-5-(prop-2-enylamino)pentanoate
SMILESC=CCNC(=O)CCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C12H16N2O5/c1-2-8-13-9(15)4-3-5-12(18)19-14-10(16)6-7-11(14)17/h2,6-7,16-17H,1,3-5,8H2,(H,13,15)
InChIKeyWYNSGUOEJJOOOF-UHFFFAOYSA-N
XLogP0.33
TPSA100.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2,5-dihydroxypyrrol-1-yl) 5-oxo-5-(prop-2-enylamino)pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2,5-dihydroxypyrrol-1-yl) docosanedioate
CID 90829981
(2,5-dihydroxypyrrol-1-yl) 6-acetamidohexanoate
CID 91128975
(2,5-dihydroxypyrrol-1-yl) tetracos-15-enoate
CID 91123132
(2,5-dihydroxypyrrol-1-yl) 3-[[6-(hydrazinecarbonyl)-7-hydrazinyl-6-methyl-7-oxoheptanoyl]amino]propanoate
CID 54319212
4-hydroxy-N-prop-2-enylbutanamide
CID 55286226
(2,5-dihydroxypyrrol-1-yl) oct-6-ynoate
CID 123686776
4-O-(2,5-dihydroxypyrrol-1-yl) 1-O-(2-methoxyethyl) butanedioate
CID 90907971
4-oxo-4-(prop-2-enylamino)butanoic acid
CID 5157666
4-(4-propan-2-ylphenoxy)-N-prop-2-enylbutanamide
CID 19207254
N'-(2-methylphenyl)-N-prop-2-enylbutanediamide
CID 571935
N'-(4-methoxyphenyl)-N-prop-2-enylbutanediamide
CID 3325031
4-(4-tert-butylphenyl)-4-oxo-N-prop-2-enylbutanamide
CID 110297944

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 5-oxo-5-(prop-2-enylamino)pentanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 5-oxo-5-(prop-2-enylamino)pentanoate (CID 91221904) is (2,5-dihydroxypyrrol-1-yl) 5-oxo-5-(prop-2-enylamino)pentanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 5-oxo-5-(prop-2-enylamino)pentanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 5-oxo-5-(prop-2-enylamino)pentanoate is C=CCNC(=O)CCCC(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 5-oxo-5-(prop-2-enylamino)pentanoate?
The InChIKey is WYNSGUOEJJOOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-2-8-13-9(15)4-3-5-12(18)19-14-10(16)6-7-11(14)17/h2,6-7,16-17H,1,3-5,8H2,(H,13,15).
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 5-oxo-5-(prop-2-enylamino)pentanoate?
(2,5-dihydroxypyrrol-1-yl) 5-oxo-5-(prop-2-enylamino)pentanoate has a molecular weight of 268.27 g/mol, XLogP of 0.33, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 5-oxo-5-(prop-2-enylamino)pentanoate is sourced from PubChem (CID 91221904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).