(2,5-dihydroxypyrrol-1-yl) (2S)-pyrrolidine-2-carboxylate

C9H12N2O4 — CID 54104390

IUPAC(2,5-dihydroxypyrrol-1-yl) (2S)-pyrrolidine-2-carboxylate
SMILESO=C(On1c(O)ccc1O)[C@@H]1CCCN1
InChIInChI=1S/C9H12N2O4/c12-7-3-4-8(13)11(7)15-9(14)6-2-1-5-10-6/h3-4,6,10,12-13H,1-2,5H2/t6-/m0/s1
InChIKeyNCSGORZTRVMMNI-LURJTMIESA-N
MW212.20 g/mol
LogP-0.39
Rot. Bonds2

About (2,5-dihydroxypyrrol-1-yl) (2S)-pyrrolidine-2-carboxylate

(2,5-dihydroxypyrrol-1-yl) (2S)-pyrrolidine-2-carboxylate (PubChem CID 54104390) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) (2S)-pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) (2S)-pyrrolidine-2-carboxylate
PubChem CID54104390
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name(2,5-dihydroxypyrrol-1-yl) (2S)-pyrrolidine-2-carboxylate
SMILESO=C(On1c(O)ccc1O)[C@@H]1CCCN1
InChIInChI=1S/C9H12N2O4/c12-7-3-4-8(13)11(7)15-9(14)6-2-1-5-10-6/h3-4,6,10,12-13H,1-2,5H2/t6-/m0/s1
InChIKeyNCSGORZTRVMMNI-LURJTMIESA-N
XLogP-0.39
TPSA83.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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
(2S)-5-(diaminomethylideneamino)-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid
CID 123914070
1-O-tert-butyl 2-O-(2,5-dihydroxypyrrol-1-yl) (2S)-4-fluoropyrrolidine-1,2-dicarboxylate
CID 91291927
(2,5-Dihydroxypyrrol-1-yl) 5-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 91522402
(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) 6-(6-deuteriohexan-2-ylamino)-6-oxohexanoate
CID 91158670
(2,5-Dihydroxypyrrol-1-yl) 6-formamidohexanoate
CID 53633447
(2S)-2-amino-4-(2,5-dihydroxypyrrol-1-yl)oxy-4-oxobutanoic acid
CID 53665213

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) (2S)-pyrrolidine-2-carboxylate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) (2S)-pyrrolidine-2-carboxylate (CID 54104390) is (2,5-dihydroxypyrrol-1-yl) (2S)-pyrrolidine-2-carboxylate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) (2S)-pyrrolidine-2-carboxylate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) (2S)-pyrrolidine-2-carboxylate is O=C(On1c(O)ccc1O)[C@@H]1CCCN1.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) (2S)-pyrrolidine-2-carboxylate?
The InChIKey is NCSGORZTRVMMNI-LURJTMIESA-N. The full InChI is InChI=1S/C9H12N2O4/c12-7-3-4-8(13)11(7)15-9(14)6-2-1-5-10-6/h3-4,6,10,12-13H,1-2,5H2/t6-/m0/s1.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) (2S)-pyrrolidine-2-carboxylate?
(2,5-dihydroxypyrrol-1-yl) (2S)-pyrrolidine-2-carboxylate has a molecular weight of 212.20 g/mol, XLogP of -0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) (2S)-pyrrolidine-2-carboxylate is sourced from PubChem (CID 54104390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).