(2,5-dihydroxypyrrol-1-yl) 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetate

C15H23N3O5 — CID 90802341

IUPAC(2,5-dihydroxypyrrol-1-yl) 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetate
SMILESCC1CCCC(C)N1CC(=O)NCC(=O)On1c(O)ccc1O
InChIInChI=1S/C15H23N3O5/c1-10-4-3-5-11(2)17(10)9-12(19)16-8-15(22)23-18-13(20)6-7-14(18)21/h6-7,10-11,20-21H,3-5,8-9H2,1-2H3,(H,16,19)
InChIKeySQXKNRKDZUJCIS-UHFFFAOYSA-N
MW325.37 g/mol
LogP0.23
Rot. Bonds5

About (2,5-dihydroxypyrrol-1-yl) 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetate

(2,5-dihydroxypyrrol-1-yl) 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetate (PubChem CID 90802341) has the molecular formula C15H23N3O5 and a molecular weight of 325.37 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetate
PubChem CID90802341
Molecular FormulaC15H23N3O5
Molecular Weight325.37 g/mol
Exact Mass325.16
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetate
SMILESCC1CCCC(C)N1CC(=O)NCC(=O)On1c(O)ccc1O
InChIInChI=1S/C15H23N3O5/c1-10-4-3-5-11(2)17(10)9-12(19)16-8-15(22)23-18-13(20)6-7-14(18)21/h6-7,10-11,20-21H,3-5,8-9H2,1-2H3,(H,16,19)
InChIKeySQXKNRKDZUJCIS-UHFFFAOYSA-N
XLogP0.23
TPSA104.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2,5-dihydroxypyrrol-1-yl) 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetate 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

(2,5-Dihydroxypyrrol-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]acetate
CID 90885722
(2,5-Dihydroxypyrrol-1-yl) 6-(nona-3,5-diynoylamino)-2-[(2,2,2-trifluoroacetyl)amino]hexanoate
CID 123293423
(2,5-dihydroxypyrrol-1-yl) (2S)-6-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoate
CID 123560838
(2,5-Dihydroxypyrrol-1-yl) 2-(2-sulfanylpropanoylamino)acetate
CID 90935387
(2,5-Dihydroxypyrrol-1-yl) 6-(6-deuteriohexan-2-ylamino)-6-oxohexanoate
CID 91158670
(2,5-dihydroxypyrrol-1-yl) (2S)-4-oxoazetidine-2-carboxylate
CID 53687125
(2,5-dihydroxypyrrol-1-yl) 2-[[(2S)-4-methyl-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]pentanoyl]amino]acetate
CID 53690615
(2,5-dihydroxypyrrol-1-yl) (2S)-2-acetamido-4-methylpentanoate
CID 53696439
(2,5-dihydroxypyrrol-1-yl) (2S)-6-amino-2-[(2-bromoacetyl)amino]hexanoate
CID 53781008
(2,5-Dihydroxypyrrol-1-yl) 2-(prop-2-enoylamino)hexanoate
CID 53829520
(2,5-Dihydroxypyrrol-1-yl) 2-acetamidoacetate
CID 53922588
(2,5-Dihydroxypyrrol-1-yl) 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetyl]amino]acetate
CID 53925778

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetate (CID 90802341) is (2,5-dihydroxypyrrol-1-yl) 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetate is CC1CCCC(C)N1CC(=O)NCC(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetate?
The InChIKey is SQXKNRKDZUJCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5/c1-10-4-3-5-11(2)17(10)9-12(19)16-8-15(22)23-18-13(20)6-7-14(18)21/h6-7,10-11,20-21H,3-5,8-9H2,1-2H3,(H,16,19).
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetate?
(2,5-dihydroxypyrrol-1-yl) 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetate has a molecular weight of 325.37 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetate is sourced from PubChem (CID 90802341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).