2-methyl-4-(methylcarbamoyl)morpholine-3-carboxylic acid

C8H14N2O4 — CID 131151267

IUPAC2-methyl-4-(methylcarbamoyl)morpholine-3-carboxylic acid
SMILESCNC(=O)N1CCOC(C)C1C(=O)O
InChIInChI=1S/C8H14N2O4/c1-5-6(7(11)12)10(3-4-14-5)8(13)9-2/h5-6H,3-4H2,1-2H3,(H,9,13)(H,11,12)
InChIKeyIGLQHPLEWPZTST-UHFFFAOYSA-N
MW202.21 g/mol
LogP-0.50
Rot. Bonds1

About 2-methyl-4-(methylcarbamoyl)morpholine-3-carboxylic acid

2-methyl-4-(methylcarbamoyl)morpholine-3-carboxylic acid (PubChem CID 131151267) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-methyl-4-(methylcarbamoyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-(methylcarbamoyl)morpholine-3-carboxylic acid
PubChem CID131151267
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name2-methyl-4-(methylcarbamoyl)morpholine-3-carboxylic acid
SMILESCNC(=O)N1CCOC(C)C1C(=O)O
InChIInChI=1S/C8H14N2O4/c1-5-6(7(11)12)10(3-4-14-5)8(13)9-2/h5-6H,3-4H2,1-2H3,(H,9,13)(H,11,12)
InChIKeyIGLQHPLEWPZTST-UHFFFAOYSA-N
XLogP-0.50
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-2-methylmorpholine-3-carboxylic acid
CID 118137411
4-but-3-ynoyl-2-methylmorpholine-3-carboxylic acid
CID 130657220
4-(2-chloroprop-2-enyl)-2-methylmorpholine-3-carboxylic acid
CID 130605069
N-tert-butyl-2,3-dimethylmorpholine-4-carboxamide
CID 110748549
4-O-tert-butyl 3-O-methyl 2-methylmorpholine-3,4-dicarboxylate
CID 155291012
(3R)-2-methyloxolane-3-carboxylic acid
CID 54532975
3-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 102775119
N-(2,2-dimethylpropyl)-2,3-dimethylmorpholine-4-carboxamide
CID 110748551
2-methyl-4-(1,2,4-thiadiazol-5-yl)morpholine-3-carboxylic acid
CID 131101568
3-methyl-1-[(3-methyloxan-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114241224
2-[2-methyl-4-(methylamino)morpholin-3-yl]acetic acid
CID 123985697
3-formyl-N-methylmorpholine-4-carboxamide
CID 176672537

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(methylcarbamoyl)morpholine-3-carboxylic acid?
The IUPAC name of 2-methyl-4-(methylcarbamoyl)morpholine-3-carboxylic acid (CID 131151267) is 2-methyl-4-(methylcarbamoyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-4-(methylcarbamoyl)morpholine-3-carboxylic acid?
The canonical SMILES for 2-methyl-4-(methylcarbamoyl)morpholine-3-carboxylic acid is CNC(=O)N1CCOC(C)C1C(=O)O.
What is the InChIKey of 2-methyl-4-(methylcarbamoyl)morpholine-3-carboxylic acid?
The InChIKey is IGLQHPLEWPZTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-5-6(7(11)12)10(3-4-14-5)8(13)9-2/h5-6H,3-4H2,1-2H3,(H,9,13)(H,11,12).
What are the key properties of 2-methyl-4-(methylcarbamoyl)morpholine-3-carboxylic acid?
2-methyl-4-(methylcarbamoyl)morpholine-3-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(methylcarbamoyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 131151267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).