(2S,4R)-1-(2-cyanomorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C11H15N3O5 — CID 79676546

IUPAC(2S,4R)-1-(2-cyanomorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESN#CC1CN(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)CCO1
InChIInChI=1S/C11H15N3O5/c12-4-8-6-13(1-2-19-8)11(18)14-5-7(15)3-9(14)10(16)17/h7-9,15H,1-3,5-6H2,(H,16,17)/t7-,8?,9+/m1/s1
InChIKeyBGPDPKILJWFSLV-NBXIYJJMSA-N
MW269.26 g/mol
LogP-1.15
Rot. Bonds1

About (2S,4R)-1-(2-cyanomorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4R)-1-(2-cyanomorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 79676546) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is (2S,4R)-1-(2-cyanomorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-(2-cyanomorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID79676546
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name(2S,4R)-1-(2-cyanomorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESN#CC1CN(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)CCO1
InChIInChI=1S/C11H15N3O5/c12-4-8-6-13(1-2-19-8)11(18)14-5-7(15)3-9(14)10(16)17/h7-9,15H,1-3,5-6H2,(H,16,17)/t7-,8?,9+/m1/s1
InChIKeyBGPDPKILJWFSLV-NBXIYJJMSA-N
XLogP-1.15
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61187508
(2S,4R)-4-hydroxy-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 63844220
(2S)-1-(2-ethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61200786
1-(2-cyanomorpholine-4-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071765
(2S,4R)-4-hydroxy-1-(3-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 55260359
(2S,4S)-4-hydroxy-1-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 64714272
1-(2-cyanomorpholine-4-carbonyl)piperidine-3-carboxylic acid
CID 79675793
4-hydroxy-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 55032221
(2S,4R)-1-(4-ethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843711
(2S)-4-hydroxy-1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 66371673
(2R,4R)-4-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78999935
(2S,4R)-1-(3,4-dimethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843405

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(2-cyanomorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-(2-cyanomorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 79676546) is (2S,4R)-1-(2-cyanomorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-(2-cyanomorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-(2-cyanomorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is N#CC1CN(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)CCO1.
What is the InChIKey of (2S,4R)-1-(2-cyanomorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is BGPDPKILJWFSLV-NBXIYJJMSA-N. The full InChI is InChI=1S/C11H15N3O5/c12-4-8-6-13(1-2-19-8)11(18)14-5-7(15)3-9(14)10(16)17/h7-9,15H,1-3,5-6H2,(H,16,17)/t7-,8?,9+/m1/s1.
What are the key properties of (2S,4R)-1-(2-cyanomorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4R)-1-(2-cyanomorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of -1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(2-cyanomorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79676546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).