methyl 4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]morpholine-2-carboxylate

C14H16ClNO5 — CID 122132801

IUPACmethyl 4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)[C@H](O)c2ccccc2Cl)CCO1
InChIInChI=1S/C14H16ClNO5/c1-20-14(19)11-8-16(6-7-21-11)13(18)12(17)9-4-2-3-5-10(9)15/h2-5,11-12,17H,6-8H2,1H3/t11?,12-/m1/s1
InChIKeyVEUXHNNDYKZTHS-PIJUOVFKSA-N
MW313.74 g/mol
LogP0.77
Rot. Bonds3

About methyl 4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]morpholine-2-carboxylate

methyl 4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]morpholine-2-carboxylate (PubChem CID 122132801) has the molecular formula C14H16ClNO5 and a molecular weight of 313.74 g/mol. Its IUPAC name is methyl 4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]morpholine-2-carboxylate
PubChem CID122132801
Molecular FormulaC14H16ClNO5
Molecular Weight313.74 g/mol
Exact Mass313.07
IUPAC Namemethyl 4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)[C@H](O)c2ccccc2Cl)CCO1
InChIInChI=1S/C14H16ClNO5/c1-20-14(19)11-8-16(6-7-21-11)13(18)12(17)9-4-2-3-5-10(9)15/h2-5,11-12,17H,6-8H2,1H3/t11?,12-/m1/s1
InChIKeyVEUXHNNDYKZTHS-PIJUOVFKSA-N
XLogP0.77
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(2-chlorophenyl)carbamoyl]morpholine-2-carboxylate
CID 78927127
methyl 4-(2-methylbenzoyl)morpholine-2-carboxylate
CID 78926743
methyl 4-(2-bromo-3-methylbutanoyl)morpholine-2-carboxylate
CID 115534240
methyl 4-(2-cyclopropylpropanoyl)morpholine-2-carboxylate
CID 79506957
methyl 4-[(2-methoxyphenyl)carbamoyl]morpholine-2-carboxylate
CID 78927066
methyl 4-[(4-methyl-4-phenylpentan-2-yl)carbamoyl]morpholine-2-carboxylate
CID 122133360
methyl 4-(3-amino-2-methyl-3-sulfanylidenepropanoyl)morpholine-2-carboxylate
CID 113330530
methyl 4-(2-chloropropanoylcarbamoyl)morpholine-2-carboxylate
CID 113330591
methyl 4-(2,3-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926701
methyl 4-(piperidine-1-carbonyl)morpholine-2-carboxylate
CID 78927190
methyl 4-[(2,3-dichlorophenyl)methyl]morpholine-2-carboxylate
CID 113346045
methyl 4-(3-methylbenzoyl)morpholine-2-carboxylate
CID 78926771

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]morpholine-2-carboxylate (CID 122132801) is methyl 4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]morpholine-2-carboxylate is COC(=O)C1CN(C(=O)[C@H](O)c2ccccc2Cl)CCO1.
What is the InChIKey of methyl 4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]morpholine-2-carboxylate?
The InChIKey is VEUXHNNDYKZTHS-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H16ClNO5/c1-20-14(19)11-8-16(6-7-21-11)13(18)12(17)9-4-2-3-5-10(9)15/h2-5,11-12,17H,6-8H2,1H3/t11?,12-/m1/s1.
What are the key properties of methyl 4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]morpholine-2-carboxylate?
methyl 4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]morpholine-2-carboxylate has a molecular weight of 313.74 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]morpholine-2-carboxylate is sourced from PubChem (CID 122132801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).