(2R)-1-(3,6-dihydro-2H-pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid

C11H16N2O3 — CID 104921458

IUPAC(2R)-1-(3,6-dihydro-2H-pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)N1CC=CCC1
InChIInChI=1S/C11H16N2O3/c14-10(15)9-5-4-8-13(9)11(16)12-6-2-1-3-7-12/h1-2,9H,3-8H2,(H,14,15)/t9-/m1/s1
InChIKeyROKHTAIGOGOZKR-SECBINFHSA-N
MW224.26 g/mol
LogP0.92
Rot. Bonds1

About (2R)-1-(3,6-dihydro-2H-pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid

(2R)-1-(3,6-dihydro-2H-pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 104921458) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is (2R)-1-(3,6-dihydro-2H-pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(3,6-dihydro-2H-pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID104921458
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name(2R)-1-(3,6-dihydro-2H-pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)N1CC=CCC1
InChIInChI=1S/C11H16N2O3/c14-10(15)9-5-4-8-13(9)11(16)12-6-2-1-3-7-12/h1-2,9H,3-8H2,(H,14,15)/t9-/m1/s1
InChIKeyROKHTAIGOGOZKR-SECBINFHSA-N
XLogP0.92
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 28509820
1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61405416
1-(3,4-dihydroxypyrrolidine-1-carbonyl)azepane-2-carboxylic acid
CID 106670554
1-(pyrrolidine-1-carbonyl)azocane-2-carboxylic acid
CID 114239747
1-(cyclohept-4-ene-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 136558034
1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61187506
(2R)-1-(1-oxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922708
(2R)-1-[4-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 55150786
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)azepane-2-carboxylic acid
CID 115560799
1-(4-methylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 63627584
(2R)-1-(4-methoxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922853
1-(1,4-thiazepane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61423276

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,6-dihydro-2H-pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(3,6-dihydro-2H-pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 104921458) is (2R)-1-(3,6-dihydro-2H-pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(3,6-dihydro-2H-pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(3,6-dihydro-2H-pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)N1CC=CCC1.
What is the InChIKey of (2R)-1-(3,6-dihydro-2H-pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ROKHTAIGOGOZKR-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N2O3/c14-10(15)9-5-4-8-13(9)11(16)12-6-2-1-3-7-12/h1-2,9H,3-8H2,(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-1-(3,6-dihydro-2H-pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(3,6-dihydro-2H-pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,6-dihydro-2H-pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 104921458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).