(2S)-1-(2,5-dihydroxypyrrol-1-yl)oxycarbonylpyrrolidine-2-carboxylic acid

C10H12N2O6 — CID 123476658

IUPAC(2S)-1-(2,5-dihydroxypyrrol-1-yl)oxycarbonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)On1c(O)ccc1O
InChIInChI=1S/C10H12N2O6/c13-7-3-4-8(14)12(7)18-10(17)11-5-1-2-6(11)9(15)16/h3-4,6,13-14H,1-2,5H2,(H,15,16)/t6-/m0/s1
InChIKeyMNTPQHTWEFQDCB-LURJTMIESA-N
MW256.21 g/mol
LogP-0.00
Rot. Bonds2

About (2S)-1-(2,5-dihydroxypyrrol-1-yl)oxycarbonylpyrrolidine-2-carboxylic acid

(2S)-1-(2,5-dihydroxypyrrol-1-yl)oxycarbonylpyrrolidine-2-carboxylic acid (PubChem CID 123476658) has the molecular formula C10H12N2O6 and a molecular weight of 256.21 g/mol. Its IUPAC name is (2S)-1-(2,5-dihydroxypyrrol-1-yl)oxycarbonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2,5-dihydroxypyrrol-1-yl)oxycarbonylpyrrolidine-2-carboxylic acid
PubChem CID123476658
Molecular FormulaC10H12N2O6
Molecular Weight256.21 g/mol
Exact Mass256.07
IUPAC Name(2S)-1-(2,5-dihydroxypyrrol-1-yl)oxycarbonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)On1c(O)ccc1O
InChIInChI=1S/C10H12N2O6/c13-7-3-4-8(14)12(7)18-10(17)11-5-1-2-6(11)9(15)16/h3-4,6,13-14H,1-2,5H2,(H,15,16)/t6-/m0/s1
InChIKeyMNTPQHTWEFQDCB-LURJTMIESA-N
XLogP-0.00
TPSA112.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-5-amino-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid
CID 54113363
(2,5-Dihydroxypyrrol-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 54539923
(2S)-2-(2,5-dihydroxypyrrol-1-yl)pentanedioic acid
CID 90753351
(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) (2S)-6-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoate
CID 123560838
(2,5-Dioxopyrrol-1-yl) 2-(2,5-dihydroxypyrrol-1-yl)propanoate
CID 53638151
(2,5-dihydroxypyrrol-1-yl) (2S)-2-acetamido-4-methylpentanoate
CID 53696439
(2,5-Dihydroxypyrrol-1-yl) 2-(prop-2-enoylamino)hexanoate
CID 53829520
(2,5-Dihydroxypyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)hexanoate
CID 53866411
(2,5-Dihydroxypyrrol-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate
CID 53951731

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,5-dihydroxypyrrol-1-yl)oxycarbonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2,5-dihydroxypyrrol-1-yl)oxycarbonylpyrrolidine-2-carboxylic acid (CID 123476658) is (2S)-1-(2,5-dihydroxypyrrol-1-yl)oxycarbonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2,5-dihydroxypyrrol-1-yl)oxycarbonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2,5-dihydroxypyrrol-1-yl)oxycarbonylpyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)On1c(O)ccc1O.
What is the InChIKey of (2S)-1-(2,5-dihydroxypyrrol-1-yl)oxycarbonylpyrrolidine-2-carboxylic acid?
The InChIKey is MNTPQHTWEFQDCB-LURJTMIESA-N. The full InChI is InChI=1S/C10H12N2O6/c13-7-3-4-8(14)12(7)18-10(17)11-5-1-2-6(11)9(15)16/h3-4,6,13-14H,1-2,5H2,(H,15,16)/t6-/m0/s1.
What are the key properties of (2S)-1-(2,5-dihydroxypyrrol-1-yl)oxycarbonylpyrrolidine-2-carboxylic acid?
(2S)-1-(2,5-dihydroxypyrrol-1-yl)oxycarbonylpyrrolidine-2-carboxylic acid has a molecular weight of 256.21 g/mol, XLogP of -0.00, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,5-dihydroxypyrrol-1-yl)oxycarbonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 123476658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).