(2S,4R)-1-(2,5-dimethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C12H20N2O5 — CID 63842866

IUPAC(2S,4R)-1-(2,5-dimethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC1CN(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)C(C)CO1
InChIInChI=1S/C12H20N2O5/c1-7-6-19-8(2)4-13(7)12(18)14-5-9(15)3-10(14)11(16)17/h7-10,15H,3-6H2,1-2H3,(H,16,17)/t7?,8?,9-,10+/m1/s1
InChIKeyUYZOPDZOERWIST-BMNUFHGDSA-N
MW272.30 g/mol
LogP-0.26
Rot. Bonds1

About (2S,4R)-1-(2,5-dimethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4R)-1-(2,5-dimethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 63842866) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2S,4R)-1-(2,5-dimethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-(2,5-dimethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID63842866
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name(2S,4R)-1-(2,5-dimethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC1CN(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)C(C)CO1
InChIInChI=1S/C12H20N2O5/c1-7-6-19-8(2)4-13(7)12(18)14-5-9(15)3-10(14)11(16)17/h7-10,15H,3-6H2,1-2H3,(H,16,17)/t7?,8?,9-,10+/m1/s1
InChIKeyUYZOPDZOERWIST-BMNUFHGDSA-N
XLogP-0.26
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
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

(2S,4S)-4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 81204962
4-hydroxy-1-(2-methylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61207457
(2S)-4-hydroxy-1-(2-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61187524
(2S)-4-hydroxy-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 104939777
(2R,4R)-4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 102885024
4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 102885046
(2R,4S)-1-carbamoyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 2374396
1-(5-ethyl-2-methylmorpholine-4-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425340
(2S,4R)-1-(3,4-dimethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843405
1-(5-ethyl-2-methylmorpholine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 61424652
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

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(2,5-dimethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-(2,5-dimethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 63842866) is (2S,4R)-1-(2,5-dimethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-(2,5-dimethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-(2,5-dimethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is CC1CN(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)C(C)CO1.
What is the InChIKey of (2S,4R)-1-(2,5-dimethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is UYZOPDZOERWIST-BMNUFHGDSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-7-6-19-8(2)4-13(7)12(18)14-5-9(15)3-10(14)11(16)17/h7-10,15H,3-6H2,1-2H3,(H,16,17)/t7?,8?,9-,10+/m1/s1.
What are the key properties of (2S,4R)-1-(2,5-dimethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4R)-1-(2,5-dimethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of -0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(2,5-dimethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63842866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).