5-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl (2S)-2-aminopentanedioate

C11H16N2O6 — CID 57003326

IUPAC5-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl (2S)-2-aminopentanedioate
SMILESCCOC(=O)[C@@H](N)CCC(=O)On1c(O)ccc1O
InChIInChI=1S/C11H16N2O6/c1-2-18-11(17)7(12)3-6-10(16)19-13-8(14)4-5-9(13)15/h4-5,7,14-15H,2-3,6,12H2,1H3/t7-/m0/s1
InChIKeyWMGJQESTPRUYGF-ZETCQYMHSA-N
MW272.26 g/mol
LogP-0.47
Rot. Bonds6

About 5-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl (2S)-2-aminopentanedioate

5-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl (2S)-2-aminopentanedioate (PubChem CID 57003326) has the molecular formula C11H16N2O6 and a molecular weight of 272.26 g/mol. Its IUPAC name is 5-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl (2S)-2-aminopentanedioate.

Molecular Properties

Compound Name5-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl (2S)-2-aminopentanedioate
PubChem CID57003326
Molecular FormulaC11H16N2O6
Molecular Weight272.26 g/mol
Exact Mass272.10
IUPAC Name5-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl (2S)-2-aminopentanedioate
SMILESCCOC(=O)[C@@H](N)CCC(=O)On1c(O)ccc1O
InChIInChI=1S/C11H16N2O6/c1-2-18-11(17)7(12)3-6-10(16)19-13-8(14)4-5-9(13)15/h4-5,7,14-15H,2-3,6,12H2,1H3/t7-/m0/s1
InChIKeyWMGJQESTPRUYGF-ZETCQYMHSA-N
XLogP-0.47
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(2,5-dihydroxypyrrol-1-yl) (2S)-2,6-diaminohexanoate
CID 53858988
bis(2,5-dihydroxypyrrol-1-yl) (2S)-2-aminopentanedioate
CID 54170576
(4S)-4-[(2,5-dihydroxypyrrol-1-yl)amino]-5-oxopentanoic acid
CID 90975862
5-(2,5-Dihydroxypyrrol-1-yl)oxypentanoic acid
CID 53662773
(2S)-2-amino-4-(2,5-dihydroxypyrrol-1-yl)oxy-4-oxobutanoic acid
CID 53665213
(2,5-Dihydroxypyrrol-1-yl) 6-aminohexanoate
CID 53714227
(2,5-dihydroxypyrrol-1-yl) (2S)-2-[(2-methoxy-2-oxoethyl)amino]-3-methylbutanoate
CID 53772197
(4S)-4-[(2,5-dihydroxypyrrol-1-yl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 54026875
(2,5-dihydroxypyrrol-1-yl) (2S)-2-(butoxycarbonylamino)hexanoate
CID 54123430
(2,5-dihydroxypyrrol-1-yl) (2S,3S)-2-amino-3-methylpentanoate
CID 54261889
(2,5-dihydroxypyrrol-1-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 54292447
(2,5-Dihydroxypyrrol-1-yl) 4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 54370131

Frequently Asked Questions

What is the IUPAC name of 5-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl (2S)-2-aminopentanedioate?
The IUPAC name of 5-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl (2S)-2-aminopentanedioate (CID 57003326) is 5-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl (2S)-2-aminopentanedioate.
What is the SMILES notation for 5-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl (2S)-2-aminopentanedioate?
The canonical SMILES for 5-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl (2S)-2-aminopentanedioate is CCOC(=O)[C@@H](N)CCC(=O)On1c(O)ccc1O.
What is the InChIKey of 5-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl (2S)-2-aminopentanedioate?
The InChIKey is WMGJQESTPRUYGF-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H16N2O6/c1-2-18-11(17)7(12)3-6-10(16)19-13-8(14)4-5-9(13)15/h4-5,7,14-15H,2-3,6,12H2,1H3/t7-/m0/s1.
What are the key properties of 5-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl (2S)-2-aminopentanedioate?
5-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl (2S)-2-aminopentanedioate has a molecular weight of 272.26 g/mol, XLogP of -0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-(2,5-dihydroxypyrrol-1-yl) 1-O-ethyl (2S)-2-aminopentanedioate is sourced from PubChem (CID 57003326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).