3-methyl-2-(morpholine-4-carbonylamino)butanoyl iodide

C10H17IN2O3 — CID 129144228

IUPAC3-methyl-2-(morpholine-4-carbonylamino)butanoyl iodide
SMILESCC(C)C(NC(=O)N1CCOCC1)C(=O)I
InChIInChI=1S/C10H17IN2O3/c1-7(2)8(9(11)14)12-10(15)13-3-5-16-6-4-13/h7-8H,3-6H2,1-2H3,(H,12,15)
InChIKeyPUMSRSJKHGVBHD-UHFFFAOYSA-N
MW340.16 g/mol
LogP1.01
Rot. Bonds3

About 3-methyl-2-(morpholine-4-carbonylamino)butanoyl iodide

3-methyl-2-(morpholine-4-carbonylamino)butanoyl iodide (PubChem CID 129144228) has the molecular formula C10H17IN2O3 and a molecular weight of 340.16 g/mol. Its IUPAC name is 3-methyl-2-(morpholine-4-carbonylamino)butanoyl iodide.

Molecular Properties

Compound Name3-methyl-2-(morpholine-4-carbonylamino)butanoyl iodide
PubChem CID129144228
Molecular FormulaC10H17IN2O3
Molecular Weight340.16 g/mol
Exact Mass340.03
IUPAC Name3-methyl-2-(morpholine-4-carbonylamino)butanoyl iodide
SMILESCC(C)C(NC(=O)N1CCOCC1)C(=O)I
InChIInChI=1S/C10H17IN2O3/c1-7(2)8(9(11)14)12-10(15)13-3-5-16-6-4-13/h7-8H,3-6H2,1-2H3,(H,12,15)
InChIKeyPUMSRSJKHGVBHD-UHFFFAOYSA-N
XLogP1.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-3-methyl-2-(morpholine-4-carbonylamino)butanoate
CID 940643
N-propan-2-ylmorpholine-4-carboxamide
CID 3411412
N-(1-amino-3-methylbutan-2-yl)morpholine-4-carboxamide
CID 79155057
3-methyl-2-(methylamino)-1-morpholin-4-ylbutan-1-one
CID 110838021
N-[1-(oxan-4-yl)ethyl]morpholine-4-carboxamide
CID 103768181
N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrrolidine-1-carboxamide
CID 116657750
N-(4-hydroxy-3-methylbutan-2-yl)morpholine-4-carboxamide
CID 111444624
N-(1-amino-4-methylpentan-3-yl)morpholine-4-carboxamide
CID 106357280
N-(4-methylsulfanylbutan-2-yl)morpholine-4-carboxamide
CID 115640219
N-(4-amino-4-oxobutan-2-yl)morpholine-4-carboxamide
CID 115665185
N-[(1S)-2-methyl-1-phenylpropyl]morpholine-4-carboxamide
CID 34672149
N-(2,3-dimethylbutyl)morpholine-4-carboxamide
CID 115642976

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(morpholine-4-carbonylamino)butanoyl iodide?
The IUPAC name of 3-methyl-2-(morpholine-4-carbonylamino)butanoyl iodide (CID 129144228) is 3-methyl-2-(morpholine-4-carbonylamino)butanoyl iodide.
What is the SMILES notation for 3-methyl-2-(morpholine-4-carbonylamino)butanoyl iodide?
The canonical SMILES for 3-methyl-2-(morpholine-4-carbonylamino)butanoyl iodide is CC(C)C(NC(=O)N1CCOCC1)C(=O)I.
What is the InChIKey of 3-methyl-2-(morpholine-4-carbonylamino)butanoyl iodide?
The InChIKey is PUMSRSJKHGVBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IN2O3/c1-7(2)8(9(11)14)12-10(15)13-3-5-16-6-4-13/h7-8H,3-6H2,1-2H3,(H,12,15).
What are the key properties of 3-methyl-2-(morpholine-4-carbonylamino)butanoyl iodide?
3-methyl-2-(morpholine-4-carbonylamino)butanoyl iodide has a molecular weight of 340.16 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(morpholine-4-carbonylamino)butanoyl iodide is sourced from PubChem (CID 129144228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).