4-(2-morpholin-4-ylethylamino)-4-oxobutanoyl chloride

C10H17ClN2O3 — CID 39256191

IUPAC4-(2-morpholin-4-ylethylamino)-4-oxobutanoyl chloride
SMILESO=C(Cl)CCC(=O)NCCN1CCOCC1
InChIInChI=1S/C10H17ClN2O3/c11-9(14)1-2-10(15)12-3-4-13-5-7-16-8-6-13/h1-8H2,(H,12,15)
InChIKeyPQVQDKLLGKTDOG-UHFFFAOYSA-N
MW248.71 g/mol
LogP-0.02
Rot. Bonds6

About 4-(2-morpholin-4-ylethylamino)-4-oxobutanoyl chloride

4-(2-morpholin-4-ylethylamino)-4-oxobutanoyl chloride (PubChem CID 39256191) has the molecular formula C10H17ClN2O3 and a molecular weight of 248.71 g/mol. Its IUPAC name is 4-(2-morpholin-4-ylethylamino)-4-oxobutanoyl chloride.

Molecular Properties

Compound Name4-(2-morpholin-4-ylethylamino)-4-oxobutanoyl chloride
PubChem CID39256191
Molecular FormulaC10H17ClN2O3
Molecular Weight248.71 g/mol
Exact Mass248.09
IUPAC Name4-(2-morpholin-4-ylethylamino)-4-oxobutanoyl chloride
SMILESO=C(Cl)CCC(=O)NCCN1CCOCC1
InChIInChI=1S/C10H17ClN2O3/c11-9(14)1-2-10(15)12-3-4-13-5-7-16-8-6-13/h1-8H2,(H,12,15)
InChIKeyPQVQDKLLGKTDOG-UHFFFAOYSA-N
XLogP-0.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

3-morpholin-4-ylpropanoyl chloride
CID 18967893
6-amino-N-(2-morpholin-4-ylethyl)hexanamide
CID 24707853
3-morpholin-4-ylpropanoyl chloride;hydrochloride
CID 19856369
3-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
CID 108943424
N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid
CID 162122494
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 127118554
3-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
CID 108943967
2,2,2-trichloro-N-(2-morpholin-4-ylethyl)acetamide
CID 3533686
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
4-(2-chlorophenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-oxobutanamide
CID 110625338
2-azido-N-(2-morpholin-4-ylethyl)acetamide
CID 112708187

Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-ylethylamino)-4-oxobutanoyl chloride?
The IUPAC name of 4-(2-morpholin-4-ylethylamino)-4-oxobutanoyl chloride (CID 39256191) is 4-(2-morpholin-4-ylethylamino)-4-oxobutanoyl chloride.
What is the SMILES notation for 4-(2-morpholin-4-ylethylamino)-4-oxobutanoyl chloride?
The canonical SMILES for 4-(2-morpholin-4-ylethylamino)-4-oxobutanoyl chloride is O=C(Cl)CCC(=O)NCCN1CCOCC1.
What is the InChIKey of 4-(2-morpholin-4-ylethylamino)-4-oxobutanoyl chloride?
The InChIKey is PQVQDKLLGKTDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O3/c11-9(14)1-2-10(15)12-3-4-13-5-7-16-8-6-13/h1-8H2,(H,12,15).
What are the key properties of 4-(2-morpholin-4-ylethylamino)-4-oxobutanoyl chloride?
4-(2-morpholin-4-ylethylamino)-4-oxobutanoyl chloride has a molecular weight of 248.71 g/mol, XLogP of -0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-ylethylamino)-4-oxobutanoyl chloride is sourced from PubChem (CID 39256191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).