(3R)-1-(3,4-dihydroxypyrrolidine-1-carbonyl)piperidine-3-carboxylic acid

C11H18N2O5 — CID 106670650

IUPAC(3R)-1-(3,4-dihydroxypyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)N2CC(O)C(O)C2)C1
InChIInChI=1S/C11H18N2O5/c14-8-5-13(6-9(8)15)11(18)12-3-1-2-7(4-12)10(16)17/h7-9,14-15H,1-6H2,(H,16,17)/t7-,8?,9?/m1/s1
InChIKeyIQMRHGWPBCLHDM-AFPNSQJFSA-N
MW258.27 g/mol
LogP-1.06
Rot. Bonds1

About (3R)-1-(3,4-dihydroxypyrrolidine-1-carbonyl)piperidine-3-carboxylic acid

(3R)-1-(3,4-dihydroxypyrrolidine-1-carbonyl)piperidine-3-carboxylic acid (PubChem CID 106670650) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is (3R)-1-(3,4-dihydroxypyrrolidine-1-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(3,4-dihydroxypyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
PubChem CID106670650
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name(3R)-1-(3,4-dihydroxypyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)N2CC(O)C(O)C2)C1
InChIInChI=1S/C11H18N2O5/c14-8-5-13(6-9(8)15)11(18)12-3-1-2-7(4-12)10(16)17/h7-9,14-15H,1-6H2,(H,16,17)/t7-,8?,9?/m1/s1
InChIKeyIQMRHGWPBCLHDM-AFPNSQJFSA-N
XLogP-1.06
TPSA101.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(3,4-dimethylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81123191
(3R)-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 104941009
1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136251
(3,4-dihydroxypyrrolidin-1-yl)-pyrrolidin-1-ylmethanone
CID 106668555
(3S)-1-(4-aminopiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81125729
(3R)-1-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120190
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonyl)piperidine-3-carboxylic acid
CID 63155393
(3R)-1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)piperidine-3-carboxylic acid
CID 81126775
1-(4-methylazepane-1-carbonyl)piperidine-3-carboxylic acid
CID 63627410
1-[4-(dimethylamino)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 43586350
(3R)-1-(8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid
CID 81121128
1-(4-methylsulfanylpiperazine-1-carbonyl)piperidine-3-carboxylic acid
CID 123306117

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3,4-dihydroxypyrrolidine-1-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(3,4-dihydroxypyrrolidine-1-carbonyl)piperidine-3-carboxylic acid (CID 106670650) is (3R)-1-(3,4-dihydroxypyrrolidine-1-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(3,4-dihydroxypyrrolidine-1-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(3,4-dihydroxypyrrolidine-1-carbonyl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)N2CC(O)C(O)C2)C1.
What is the InChIKey of (3R)-1-(3,4-dihydroxypyrrolidine-1-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is IQMRHGWPBCLHDM-AFPNSQJFSA-N. The full InChI is InChI=1S/C11H18N2O5/c14-8-5-13(6-9(8)15)11(18)12-3-1-2-7(4-12)10(16)17/h7-9,14-15H,1-6H2,(H,16,17)/t7-,8?,9?/m1/s1.
What are the key properties of (3R)-1-(3,4-dihydroxypyrrolidine-1-carbonyl)piperidine-3-carboxylic acid?
(3R)-1-(3,4-dihydroxypyrrolidine-1-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 258.27 g/mol, XLogP of -1.06, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3,4-dihydroxypyrrolidine-1-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 106670650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).