(2S)-1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]pyrrolidine-2-carboxylic acid

C13H20N2O6 — CID 115535473

IUPAC(2S)-1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCOC(=O)CC1CN(C(=O)N2CCC[C@H]2C(=O)O)CCO1
InChIInChI=1S/C13H20N2O6/c1-20-11(16)7-9-8-14(5-6-21-9)13(19)15-4-2-3-10(15)12(17)18/h9-10H,2-8H2,1H3,(H,17,18)/t9?,10-/m0/s1
InChIKeyKMLLHAAASZMTKB-AXDSSHIGSA-N
MW300.31 g/mol
LogP-0.08
Rot. Bonds3

About (2S)-1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]pyrrolidine-2-carboxylic acid

(2S)-1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 115535473) has the molecular formula C13H20N2O6 and a molecular weight of 300.31 g/mol. Its IUPAC name is (2S)-1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID115535473
Molecular FormulaC13H20N2O6
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC Name(2S)-1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCOC(=O)CC1CN(C(=O)N2CCC[C@H]2C(=O)O)CCO1
InChIInChI=1S/C13H20N2O6/c1-20-11(16)7-9-8-14(5-6-21-9)13(19)15-4-2-3-10(15)12(17)18/h9-10H,2-8H2,1H3,(H,17,18)/t9?,10-/m0/s1
InChIKeyKMLLHAAASZMTKB-AXDSSHIGSA-N
XLogP-0.08
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid
CID 115535465
methyl 2-[4-(cyclobutanecarbonyl)morpholin-2-yl]acetate
CID 79806815
2-[4-(2,3-dimethylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66434882
1-(2-ethylmorpholine-4-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071345
(2R)-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 106588061
1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61187506
2-[4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid
CID 66433529
1-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 61408512
1-(3-methoxycarbonylpiperidine-1-carbonyl)piperidine-2-carboxylic acid
CID 115535285
methyl 2-[1-(3-methylpiperidine-1-carbonyl)piperidin-2-yl]acetate
CID 79163032
6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]-6-oxohexanoic acid
CID 115534065
1-[2-(hydroxymethyl)morpholine-4-carbonyl]-3-methylpiperidine-2-carboxylic acid
CID 107071792

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]pyrrolidine-2-carboxylic acid (CID 115535473) is (2S)-1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]pyrrolidine-2-carboxylic acid is COC(=O)CC1CN(C(=O)N2CCC[C@H]2C(=O)O)CCO1.
What is the InChIKey of (2S)-1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is KMLLHAAASZMTKB-AXDSSHIGSA-N. The full InChI is InChI=1S/C13H20N2O6/c1-20-11(16)7-9-8-14(5-6-21-9)13(19)15-4-2-3-10(15)12(17)18/h9-10H,2-8H2,1H3,(H,17,18)/t9?,10-/m0/s1.
What are the key properties of (2S)-1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 300.31 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 115535473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).