(2,5-dihydroxypyrrol-1-yl) 2,5-diamino-5-oxopentanoate

C9H13N3O5 — CID 123597498

IUPAC(2,5-dihydroxypyrrol-1-yl) 2,5-diamino-5-oxopentanoate
SMILESNC(=O)CCC(N)C(=O)On1c(O)ccc1O
InChIInChI=1S/C9H13N3O5/c10-5(1-2-6(11)13)9(16)17-12-7(14)3-4-8(12)15/h3-5,14-15H,1-2,10H2,(H2,11,13)
InChIKeyBZJSESQBEVQDKG-UHFFFAOYSA-N
MW243.22 g/mol
LogP-1.55
Rot. Bonds5

About (2,5-dihydroxypyrrol-1-yl) 2,5-diamino-5-oxopentanoate

(2,5-dihydroxypyrrol-1-yl) 2,5-diamino-5-oxopentanoate (PubChem CID 123597498) has the molecular formula C9H13N3O5 and a molecular weight of 243.22 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 2,5-diamino-5-oxopentanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 2,5-diamino-5-oxopentanoate
PubChem CID123597498
Molecular FormulaC9H13N3O5
Molecular Weight243.22 g/mol
Exact Mass243.09
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 2,5-diamino-5-oxopentanoate
SMILESNC(=O)CCC(N)C(=O)On1c(O)ccc1O
InChIInChI=1S/C9H13N3O5/c10-5(1-2-6(11)13)9(16)17-12-7(14)3-4-8(12)15/h3-5,14-15H,1-2,10H2,(H2,11,13)
InChIKeyBZJSESQBEVQDKG-UHFFFAOYSA-N
XLogP-1.55
TPSA140.80 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-6-amino-2-(2,5-dihydroxypyrrol-1-yl)hexanoic acid
CID 53646830
(2,5-dihydroxypyrrol-1-yl) (2S)-2,6-diaminohexanoate
CID 53858988
(2S)-5-amino-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid
CID 54113363
bis(2,5-dihydroxypyrrol-1-yl) (2S)-2-aminopentanedioate
CID 54170576
5-(2,5-Dihydroxypyrrol-1-yl)oxy-5-oxopentanoic acid
CID 54518514
(2S)-2-(2,5-dihydroxypyrrol-1-yl)pentanedioic acid
CID 90753351
(2,5-Dihydroxypyrrol-1-yl) 6-[(2,2,2-trifluoroacetyl)amino]hexanoate
CID 54125299
(2,5-Dihydroxypyrrol-1-yl) 4-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 91465498
(2,5-Dihydroxypyrrol-1-yl) 5-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 91522402
(2,5-dihydroxypyrrol-1-yl) (2S)-6-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoate
CID 123560838
(4S)-4-[(2,5-dihydroxypyrrol-1-yl)amino]-5-oxopentanoic acid
CID 90975862
(2,5-Dihydroxypyrrol-1-yl) 6-(6-deuteriohexan-2-ylamino)-6-oxohexanoate
CID 91158670

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2,5-diamino-5-oxopentanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2,5-diamino-5-oxopentanoate (CID 123597498) is (2,5-dihydroxypyrrol-1-yl) 2,5-diamino-5-oxopentanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 2,5-diamino-5-oxopentanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 2,5-diamino-5-oxopentanoate is NC(=O)CCC(N)C(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 2,5-diamino-5-oxopentanoate?
The InChIKey is BZJSESQBEVQDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5/c10-5(1-2-6(11)13)9(16)17-12-7(14)3-4-8(12)15/h3-5,14-15H,1-2,10H2,(H2,11,13).
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 2,5-diamino-5-oxopentanoate?
(2,5-dihydroxypyrrol-1-yl) 2,5-diamino-5-oxopentanoate has a molecular weight of 243.22 g/mol, XLogP of -1.55, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 2,5-diamino-5-oxopentanoate is sourced from PubChem (CID 123597498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).