4-(dimethylaminocarbamoyl)morpholine-3-carboxylic acid

C8H15N3O4 — CID 83017669

IUPAC4-(dimethylaminocarbamoyl)morpholine-3-carboxylic acid
SMILESCN(C)NC(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C8H15N3O4/c1-10(2)9-8(14)11-3-4-15-5-6(11)7(12)13/h6H,3-5H2,1-2H3,(H,9,14)(H,12,13)
InChIKeyBXDMUSVGHLYRLF-UHFFFAOYSA-N
MW217.22 g/mol
LogP-1.04
Rot. Bonds2

About 4-(dimethylaminocarbamoyl)morpholine-3-carboxylic acid

4-(dimethylaminocarbamoyl)morpholine-3-carboxylic acid (PubChem CID 83017669) has the molecular formula C8H15N3O4 and a molecular weight of 217.22 g/mol. Its IUPAC name is 4-(dimethylaminocarbamoyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(dimethylaminocarbamoyl)morpholine-3-carboxylic acid
PubChem CID83017669
Molecular FormulaC8H15N3O4
Molecular Weight217.22 g/mol
Exact Mass217.11
IUPAC Name4-(dimethylaminocarbamoyl)morpholine-3-carboxylic acid
SMILESCN(C)NC(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C8H15N3O4/c1-10(2)9-8(14)11-3-4-15-5-6(11)7(12)13/h6H,3-5H2,1-2H3,(H,9,14)(H,12,13)
InChIKeyBXDMUSVGHLYRLF-UHFFFAOYSA-N
XLogP-1.04
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholine-3-carboxylic acid
CID 106097979
4-[(1-propylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid
CID 113364388
4-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid
CID 114116894
4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]morpholine-3-carboxylic acid
CID 114388503
4-(3-methylsulfanylbutylcarbamoyl)morpholine-3-carboxylic acid
CID 113363829
4-[(4-hydroxyphenyl)-methylcarbamoyl]morpholine-3-carboxylic acid
CID 107737030
4-[2-(oxolan-3-yl)ethylcarbamoyl]morpholine-3-carboxylic acid
CID 114131758
(3R)-4-methylmorpholine-3-carboxylic acid
CID 66864905
4-[2-ethoxyethyl(methyl)carbamoyl]morpholine-3-carboxylic acid
CID 81058113
4-(2-ethylhexylcarbamoyl)morpholine-3-carboxylic acid
CID 103995566
(3S)-4-chloromorpholine-3-carboxylic acid
CID 121451605
(3S)-4-(3-methylthiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513592

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylaminocarbamoyl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(dimethylaminocarbamoyl)morpholine-3-carboxylic acid (CID 83017669) is 4-(dimethylaminocarbamoyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(dimethylaminocarbamoyl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(dimethylaminocarbamoyl)morpholine-3-carboxylic acid is CN(C)NC(=O)N1CCOCC1C(=O)O.
What is the InChIKey of 4-(dimethylaminocarbamoyl)morpholine-3-carboxylic acid?
The InChIKey is BXDMUSVGHLYRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4/c1-10(2)9-8(14)11-3-4-15-5-6(11)7(12)13/h6H,3-5H2,1-2H3,(H,9,14)(H,12,13).
What are the key properties of 4-(dimethylaminocarbamoyl)morpholine-3-carboxylic acid?
4-(dimethylaminocarbamoyl)morpholine-3-carboxylic acid has a molecular weight of 217.22 g/mol, XLogP of -1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylaminocarbamoyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 83017669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).