(2,5-dihydroxypyrrol-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C11H16N2O6 — CID 54507553

IUPAC(2,5-dihydroxypyrrol-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)(C)OC(=O)NCC(=O)On1c(O)ccc1O
InChIInChI=1S/C11H16N2O6/c1-11(2,3)18-10(17)12-6-9(16)19-13-7(14)4-5-8(13)15/h4-5,14-15H,6H2,1-3H3,(H,12,17)
InChIKeyYGUDYLDHMOZGDF-UHFFFAOYSA-N
MW272.26 g/mol
LogP0.38
Rot. Bonds3

About (2,5-dihydroxypyrrol-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

(2,5-dihydroxypyrrol-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 54507553) has the molecular formula C11H16N2O6 and a molecular weight of 272.26 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID54507553
Molecular FormulaC11H16N2O6
Molecular Weight272.26 g/mol
Exact Mass272.10
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)(C)OC(=O)NCC(=O)On1c(O)ccc1O
InChIInChI=1S/C11H16N2O6/c1-11(2,3)18-10(17)12-6-9(16)19-13-7(14)4-5-8(13)15/h4-5,14-15H,6H2,1-3H3,(H,12,17)
InChIKeyYGUDYLDHMOZGDF-UHFFFAOYSA-N
XLogP0.38
TPSA110.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2,5-dihydroxypyrrol-1-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(2,2,2-trifluoroacetyl)amino]hexanoate
CID 54565824
(2,5-Dihydroxypyrrol-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]acetate
CID 90885722
(2,5-Dihydroxypyrrol-1-yl) 2-(2-sulfanylpropanoylamino)acetate
CID 90935387
(2,5-dihydroxypyrrol-1-yl) (2S)-6-amino-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate
CID 53653351
(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) 4-[(2-iodoacetyl)amino]butanoate
CID 53697571
(2,5-Dihydroxypyrrol-1-yl) 2-aminoacetate
CID 53728945
(2,5-dihydroxypyrrol-1-yl) (2S)-2-[(2-methoxy-2-oxoethyl)amino]-3-methylbutanoate
CID 53772197
1-O-(2,5-dihydroxypyrrol-1-yl) 4-O-methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 53793902
(2,5-dihydroxypyrrol-1-yl) (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 53795865

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 54507553) is (2,5-dihydroxypyrrol-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is CC(C)(C)OC(=O)NCC(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is YGUDYLDHMOZGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O6/c1-11(2,3)18-10(17)12-6-9(16)19-13-7(14)4-5-8(13)15/h4-5,14-15H,6H2,1-3H3,(H,12,17).
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
(2,5-dihydroxypyrrol-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 272.26 g/mol, XLogP of 0.38, 3 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-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 54507553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).