[1,5-bis[(2,5-dihydroxypyrrol-1-yl)oxy]-1,5-dioxopentan-2-yl]carbamic acid

C14H15N3O10 — CID 123214723

IUPAC[1,5-bis[(2,5-dihydroxypyrrol-1-yl)oxy]-1,5-dioxopentan-2-yl]carbamic acid
SMILESO=C(O)NC(CCC(=O)On1c(O)ccc1O)C(=O)On1c(O)ccc1O
InChIInChI=1S/C14H15N3O10/c18-8-2-3-9(19)16(8)26-12(22)6-1-7(15-14(24)25)13(23)27-17-10(20)4-5-11(17)21/h2-5,7,15,18-21H,1,6H2,(H,24,25)
InChIKeyVYBIUWQQPRHVMF-UHFFFAOYSA-N
MW385.29 g/mol
LogP-0.86
Rot. Bonds7

About [1,5-bis[(2,5-dihydroxypyrrol-1-yl)oxy]-1,5-dioxopentan-2-yl]carbamic acid

[1,5-bis[(2,5-dihydroxypyrrol-1-yl)oxy]-1,5-dioxopentan-2-yl]carbamic acid (PubChem CID 123214723) has the molecular formula C14H15N3O10 and a molecular weight of 385.29 g/mol. Its IUPAC name is [1,5-bis[(2,5-dihydroxypyrrol-1-yl)oxy]-1,5-dioxopentan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1,5-bis[(2,5-dihydroxypyrrol-1-yl)oxy]-1,5-dioxopentan-2-yl]carbamic acid
PubChem CID123214723
Molecular FormulaC14H15N3O10
Molecular Weight385.29 g/mol
Exact Mass385.08
IUPAC Name[1,5-bis[(2,5-dihydroxypyrrol-1-yl)oxy]-1,5-dioxopentan-2-yl]carbamic acid
SMILESO=C(O)NC(CCC(=O)On1c(O)ccc1O)C(=O)On1c(O)ccc1O
InChIInChI=1S/C14H15N3O10/c18-8-2-3-9(19)16(8)26-12(22)6-1-7(15-14(24)25)13(23)27-17-10(20)4-5-11(17)21/h2-5,7,15,18-21H,1,6H2,(H,24,25)
InChIKeyVYBIUWQQPRHVMF-UHFFFAOYSA-N
XLogP-0.86
TPSA192.71 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500385.29
LogP ≤ 5-0.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

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Related Compounds

bis(2,5-dihydroxypyrrol-1-yl) (2S)-2-aminopentanedioate
CID 54170576
Bis(2,5-dihydroxypyrrol-1-yl) pentanedioate
CID 54387525
(2,5-dihydroxypyrrol-1-yl) (2S)-6-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoate
CID 123560838
(2S)-2-[bis(2,5-dihydroxypyrrol-1-yl)amino]pentanedioic acid
CID 91360017
(2,5-dihydroxypyrrol-1-yl) (2S)-4-oxoazetidine-2-carboxylate
CID 53687125
(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) (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 53795865
(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) (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 53987788
(2,5-dihydroxypyrrol-1-yl) (2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 53991653

Frequently Asked Questions

What is the IUPAC name of [1,5-bis[(2,5-dihydroxypyrrol-1-yl)oxy]-1,5-dioxopentan-2-yl]carbamic acid?
The IUPAC name of [1,5-bis[(2,5-dihydroxypyrrol-1-yl)oxy]-1,5-dioxopentan-2-yl]carbamic acid (CID 123214723) is [1,5-bis[(2,5-dihydroxypyrrol-1-yl)oxy]-1,5-dioxopentan-2-yl]carbamic acid.
What is the SMILES notation for [1,5-bis[(2,5-dihydroxypyrrol-1-yl)oxy]-1,5-dioxopentan-2-yl]carbamic acid?
The canonical SMILES for [1,5-bis[(2,5-dihydroxypyrrol-1-yl)oxy]-1,5-dioxopentan-2-yl]carbamic acid is O=C(O)NC(CCC(=O)On1c(O)ccc1O)C(=O)On1c(O)ccc1O.
What is the InChIKey of [1,5-bis[(2,5-dihydroxypyrrol-1-yl)oxy]-1,5-dioxopentan-2-yl]carbamic acid?
The InChIKey is VYBIUWQQPRHVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O10/c18-8-2-3-9(19)16(8)26-12(22)6-1-7(15-14(24)25)13(23)27-17-10(20)4-5-11(17)21/h2-5,7,15,18-21H,1,6H2,(H,24,25).
What are the key properties of [1,5-bis[(2,5-dihydroxypyrrol-1-yl)oxy]-1,5-dioxopentan-2-yl]carbamic acid?
[1,5-bis[(2,5-dihydroxypyrrol-1-yl)oxy]-1,5-dioxopentan-2-yl]carbamic acid has a molecular weight of 385.29 g/mol, XLogP of -0.86, 7 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [1,5-bis[(2,5-dihydroxypyrrol-1-yl)oxy]-1,5-dioxopentan-2-yl]carbamic acid is sourced from PubChem (CID 123214723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).