4-(1-morpholin-4-ylethylamino)-4-oxobutanoic acid

C10H18N2O4 — CID 20979566

IUPAC4-(1-morpholin-4-ylethylamino)-4-oxobutanoic acid
SMILESCC(NC(=O)CCC(=O)O)N1CCOCC1
InChIInChI=1S/C10H18N2O4/c1-8(12-4-6-16-7-5-12)11-9(13)2-3-10(14)15/h8H,2-7H2,1H3,(H,11,13)(H,14,15)
InChIKeyFTUOEBWGQJBHDU-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.35
Rot. Bonds5

About 4-(1-morpholin-4-ylethylamino)-4-oxobutanoic acid

4-(1-morpholin-4-ylethylamino)-4-oxobutanoic acid (PubChem CID 20979566) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-(1-morpholin-4-ylethylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(1-morpholin-4-ylethylamino)-4-oxobutanoic acid
PubChem CID20979566
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name4-(1-morpholin-4-ylethylamino)-4-oxobutanoic acid
SMILESCC(NC(=O)CCC(=O)O)N1CCOCC1
InChIInChI=1S/C10H18N2O4/c1-8(12-4-6-16-7-5-12)11-9(13)2-3-10(14)15/h8H,2-7H2,1H3,(H,11,13)(H,14,15)
InChIKeyFTUOEBWGQJBHDU-UHFFFAOYSA-N
XLogP-0.35
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-morpholin-4-ylethyl)acetamide
CID 20786322
1-(diaminomethylidene)-3-(1-morpholin-4-ylethyl)urea
CID 146032726
(2R)-4-methyl-2-[(4-morpholin-4-yl-4-oxobutanoyl)amino]pentanoic acid
CID 119363098
7-amino-N-(3-morpholin-4-ylbutan-2-yl)heptanamide;dihydrochloride
CID 119878453
3,7,11-trimethyl-N-(1-morpholin-4-ylethyl)dodeca-2,6,10-trienamide
CID 70401956
4,4-dimethyl-3-morpholin-4-ylpentanoic acid
CID 64526552
N-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]-3-phenoxypropanamide
CID 95340867
4-(1,2-dihydroxypropylamino)-4-oxobutanoic acid
CID 154111252
2-[16-(1-carboxyethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propanoic acid
CID 15241477
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide
CID 110347736
4-morpholin-4-yl-4-oxo-N-[(1S)-1-phenylethyl]butanamide
CID 40719548
butanedioic acid;oxolane
CID 70210247

Frequently Asked Questions

What is the IUPAC name of 4-(1-morpholin-4-ylethylamino)-4-oxobutanoic acid?
The IUPAC name of 4-(1-morpholin-4-ylethylamino)-4-oxobutanoic acid (CID 20979566) is 4-(1-morpholin-4-ylethylamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(1-morpholin-4-ylethylamino)-4-oxobutanoic acid?
The canonical SMILES for 4-(1-morpholin-4-ylethylamino)-4-oxobutanoic acid is CC(NC(=O)CCC(=O)O)N1CCOCC1.
What is the InChIKey of 4-(1-morpholin-4-ylethylamino)-4-oxobutanoic acid?
The InChIKey is FTUOEBWGQJBHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-8(12-4-6-16-7-5-12)11-9(13)2-3-10(14)15/h8H,2-7H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 4-(1-morpholin-4-ylethylamino)-4-oxobutanoic acid?
4-(1-morpholin-4-ylethylamino)-4-oxobutanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-morpholin-4-ylethylamino)-4-oxobutanoic acid is sourced from PubChem (CID 20979566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).