(2S)-1-(2-ethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C12H20N2O5 — CID 61200786

IUPAC(2S)-1-(2-ethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCC1CN(C(=O)N2CC(O)C[C@H]2C(=O)O)CCO1
InChIInChI=1S/C12H20N2O5/c1-2-9-7-13(3-4-19-9)12(18)14-6-8(15)5-10(14)11(16)17/h8-10,15H,2-7H2,1H3,(H,16,17)/t8?,9?,10-/m0/s1
InChIKeyFZQXFXIJEJRLFJ-RTBKNWGFSA-N
MW272.30 g/mol
LogP-0.26
Rot. Bonds2

About (2S)-1-(2-ethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2S)-1-(2-ethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 61200786) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2S)-1-(2-ethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-ethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID61200786
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name(2S)-1-(2-ethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCC1CN(C(=O)N2CC(O)C[C@H]2C(=O)O)CCO1
InChIInChI=1S/C12H20N2O5/c1-2-9-7-13(3-4-19-9)12(18)14-6-8(15)5-10(14)11(16)17/h8-10,15H,2-7H2,1H3,(H,16,17)/t8?,9?,10-/m0/s1
InChIKeyFZQXFXIJEJRLFJ-RTBKNWGFSA-N
XLogP-0.26
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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,4R)-1-(2-cyanomorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79676546
(2S,4S)-1-(2-ethylthiomorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 104874710
(2S,4R)-4-hydroxy-1-(3-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 55260359
(2S,4R)-1-(4-ethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843711
2-ethylmorpholine-4-carboxylic acid
CID 121455686
(2S,4S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713072
1-(2-ethylmorpholine-4-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071345
1-(4,4-diethylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63161889
(2R,4R)-4-hydroxy-1-(4-propylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78999372
3-(2-ethylmorpholine-4-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 43562554

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-ethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-ethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 61200786) is (2S)-1-(2-ethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-ethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-ethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is CCC1CN(C(=O)N2CC(O)C[C@H]2C(=O)O)CCO1.
What is the InChIKey of (2S)-1-(2-ethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is FZQXFXIJEJRLFJ-RTBKNWGFSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-2-9-7-13(3-4-19-9)12(18)14-6-8(15)5-10(14)11(16)17/h8-10,15H,2-7H2,1H3,(H,16,17)/t8?,9?,10-/m0/s1.
What are the key properties of (2S)-1-(2-ethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2S)-1-(2-ethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-ethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61200786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).