methyl 4-(2-chloropropanoylcarbamoyl)morpholine-3-carboxylate

C10H15ClN2O5 — CID 104774828

IUPACmethyl 4-(2-chloropropanoylcarbamoyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)NC(=O)C(C)Cl
InChIInChI=1S/C10H15ClN2O5/c1-6(11)8(14)12-10(16)13-3-4-18-5-7(13)9(15)17-2/h6-7H,3-5H2,1-2H3,(H,12,14,16)
InChIKeyLPNQRFLYYANEQR-UHFFFAOYSA-N
MW278.69 g/mol
LogP-0.28
Rot. Bonds2

About methyl 4-(2-chloropropanoylcarbamoyl)morpholine-3-carboxylate

methyl 4-(2-chloropropanoylcarbamoyl)morpholine-3-carboxylate (PubChem CID 104774828) has the molecular formula C10H15ClN2O5 and a molecular weight of 278.69 g/mol. Its IUPAC name is methyl 4-(2-chloropropanoylcarbamoyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-chloropropanoylcarbamoyl)morpholine-3-carboxylate
PubChem CID104774828
Molecular FormulaC10H15ClN2O5
Molecular Weight278.69 g/mol
Exact Mass278.07
IUPAC Namemethyl 4-(2-chloropropanoylcarbamoyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)NC(=O)C(C)Cl
InChIInChI=1S/C10H15ClN2O5/c1-6(11)8(14)12-10(16)13-3-4-18-5-7(13)9(15)17-2/h6-7H,3-5H2,1-2H3,(H,12,14,16)
InChIKeyLPNQRFLYYANEQR-UHFFFAOYSA-N
XLogP-0.28
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-chloropropanoyl)-3-N-cyclopropylmorpholine-3,4-dicarboxamide
CID 83103615
methyl 4-(2,3-dimethylbutanoyl)morpholine-3-carboxylate
CID 115670189
methyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate
CID 103514384
methyl 4-(4-methylpentanoyl)morpholine-3-carboxylate
CID 115670163
methyl 4-(4-hydroxypentanoyl)morpholine-3-carboxylate
CID 113451830
3-hydroxy-2-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid
CID 104774698
methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate
CID 104774844
3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid
CID 104774758
3-cyclopropyl-3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid
CID 104774823
methyl 4-(2,2-dimethylcyclopropanecarbonyl)morpholine-3-carboxylate
CID 103837995
methyl 4-(1-propan-2-ylpyrrole-2-carbonyl)morpholine-3-carboxylate
CID 115869308
methyl 4-[1-(carbamoylamino)-1-oxopropan-2-yl]morpholine-3-carboxylate
CID 104775016

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-chloropropanoylcarbamoyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(2-chloropropanoylcarbamoyl)morpholine-3-carboxylate (CID 104774828) is methyl 4-(2-chloropropanoylcarbamoyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(2-chloropropanoylcarbamoyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(2-chloropropanoylcarbamoyl)morpholine-3-carboxylate is COC(=O)C1COCCN1C(=O)NC(=O)C(C)Cl.
What is the InChIKey of methyl 4-(2-chloropropanoylcarbamoyl)morpholine-3-carboxylate?
The InChIKey is LPNQRFLYYANEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O5/c1-6(11)8(14)12-10(16)13-3-4-18-5-7(13)9(15)17-2/h6-7H,3-5H2,1-2H3,(H,12,14,16).
What are the key properties of methyl 4-(2-chloropropanoylcarbamoyl)morpholine-3-carboxylate?
methyl 4-(2-chloropropanoylcarbamoyl)morpholine-3-carboxylate has a molecular weight of 278.69 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-chloropropanoylcarbamoyl)morpholine-3-carboxylate is sourced from PubChem (CID 104774828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).