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

C10H15ClN2O5 — CID 113330591

IUPACmethyl 4-(2-chloropropanoylcarbamoyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)NC(=O)C(C)Cl)CCO1
InChIInChI=1S/C10H15ClN2O5/c1-6(11)8(14)12-10(16)13-3-4-18-7(5-13)9(15)17-2/h6-7H,3-5H2,1-2H3,(H,12,14,16)
InChIKeyFFSFZLCPHALSSZ-UHFFFAOYSA-N
MW278.69 g/mol
LogP-0.28
Rot. Bonds2

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

methyl 4-(2-chloropropanoylcarbamoyl)morpholine-2-carboxylate (PubChem CID 113330591) has the molecular formula C10H15ClN2O5 and a molecular weight of 278.69 g/mol. Its IUPAC name is methyl 4-(2-chloropropanoylcarbamoyl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-chloropropanoylcarbamoyl)morpholine-2-carboxylate
PubChem CID113330591
Molecular FormulaC10H15ClN2O5
Molecular Weight278.69 g/mol
Exact Mass278.07
IUPAC Namemethyl 4-(2-chloropropanoylcarbamoyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)NC(=O)C(C)Cl)CCO1
InChIInChI=1S/C10H15ClN2O5/c1-6(11)8(14)12-10(16)13-3-4-18-7(5-13)9(15)17-2/h6-7H,3-5H2,1-2H3,(H,12,14,16)
InChIKeyFFSFZLCPHALSSZ-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'}

Analyze methyl 4-(2-chloropropanoylcarbamoyl)morpholine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-O-methyl 4-O-propan-2-yl morpholine-2,4-dicarboxylate
CID 115536113
methyl 4-(dimethylcarbamoyl)morpholine-2-carboxylate
CID 78927141
4-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid
CID 115535367
methyl 4-(2-bromo-3-methylbutanoyl)morpholine-2-carboxylate
CID 115534240
methyl 4-(2-cyclopropylpropanoyl)morpholine-2-carboxylate
CID 79506957
2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanedioic acid
CID 115535343
2-hydroxy-3-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid
CID 115535386
methyl 4-(3-amino-2-methyl-3-sulfanylidenepropanoyl)morpholine-2-carboxylate
CID 113330530
(2S)-4-hydroxy-2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanoic acid
CID 107828590
methyl 4-(piperidine-1-carbonyl)morpholine-2-carboxylate
CID 78927190
methyl 4-(2-acetamidoacetyl)morpholine-2-carboxylate
CID 78927137
methyl 4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]morpholine-2-carboxylate
CID 78926451

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-chloropropanoylcarbamoyl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(2-chloropropanoylcarbamoyl)morpholine-2-carboxylate (CID 113330591) is methyl 4-(2-chloropropanoylcarbamoyl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(2-chloropropanoylcarbamoyl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(2-chloropropanoylcarbamoyl)morpholine-2-carboxylate is COC(=O)C1CN(C(=O)NC(=O)C(C)Cl)CCO1.
What is the InChIKey of methyl 4-(2-chloropropanoylcarbamoyl)morpholine-2-carboxylate?
The InChIKey is FFSFZLCPHALSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O5/c1-6(11)8(14)12-10(16)13-3-4-18-7(5-13)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-2-carboxylate?
methyl 4-(2-chloropropanoylcarbamoyl)morpholine-2-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-2-carboxylate is sourced from PubChem (CID 113330591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).