methyl 2-[4-(2-amino-5-chlorobenzoyl)morpholin-2-yl]acetate

C14H17ClN2O4 — CID 115533261

IUPACmethyl 2-[4-(2-amino-5-chlorobenzoyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)c2cc(Cl)ccc2N)CCO1
InChIInChI=1S/C14H17ClN2O4/c1-20-13(18)7-10-8-17(4-5-21-10)14(19)11-6-9(15)2-3-12(11)16/h2-3,6,10H,4-5,7-8,16H2,1H3
InChIKeySABYUHHGAXGCRV-UHFFFAOYSA-N
MW312.75 g/mol
LogP1.33
Rot. Bonds3

About methyl 2-[4-(2-amino-5-chlorobenzoyl)morpholin-2-yl]acetate

methyl 2-[4-(2-amino-5-chlorobenzoyl)morpholin-2-yl]acetate (PubChem CID 115533261) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is methyl 2-[4-(2-amino-5-chlorobenzoyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-amino-5-chlorobenzoyl)morpholin-2-yl]acetate
PubChem CID115533261
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Namemethyl 2-[4-(2-amino-5-chlorobenzoyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)c2cc(Cl)ccc2N)CCO1
InChIInChI=1S/C14H17ClN2O4/c1-20-13(18)7-10-8-17(4-5-21-10)14(19)11-6-9(15)2-3-12(11)16/h2-3,6,10H,4-5,7-8,16H2,1H3
InChIKeySABYUHHGAXGCRV-UHFFFAOYSA-N
XLogP1.33
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-(4-bromo-2-chlorobenzoyl)morpholin-2-yl]acetate
CID 79812884
2-[4-(5-chloro-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82883345
methyl 2-[4-(3-bromo-4-chlorobenzoyl)morpholin-2-yl]acetate
CID 103842120
[2-(aminomethyl)morpholin-4-yl]-(5-chloro-2-methylphenyl)methanone
CID 114398222
methyl 2-[4-(2,3-dichlorobenzoyl)morpholin-2-yl]acetate
CID 79812879
methyl 2-[4-(2,4-dimethylbenzoyl)morpholin-2-yl]acetate
CID 79812703
methyl 2-[4-(4-bromobenzoyl)morpholin-2-yl]acetate
CID 79806173
(5-chloro-2-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 60733638
[2-(chloromethyl)morpholin-4-yl]-(2,5-dichlorophenyl)methanone
CID 81210817
methyl 2-[4-(5,6-dichloropyridine-3-carbonyl)morpholin-2-yl]acetate
CID 79812705
methyl 2-[4-(4-amino-1-methylpyrrole-2-carbonyl)morpholin-2-yl]acetate
CID 115533291
methyl 2-[4-(4-hydroxybenzoyl)morpholin-2-yl]acetate
CID 115534950

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-amino-5-chlorobenzoyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(2-amino-5-chlorobenzoyl)morpholin-2-yl]acetate (CID 115533261) is methyl 2-[4-(2-amino-5-chlorobenzoyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2-amino-5-chlorobenzoyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(2-amino-5-chlorobenzoyl)morpholin-2-yl]acetate is COC(=O)CC1CN(C(=O)c2cc(Cl)ccc2N)CCO1.
What is the InChIKey of methyl 2-[4-(2-amino-5-chlorobenzoyl)morpholin-2-yl]acetate?
The InChIKey is SABYUHHGAXGCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4/c1-20-13(18)7-10-8-17(4-5-21-10)14(19)11-6-9(15)2-3-12(11)16/h2-3,6,10H,4-5,7-8,16H2,1H3.
What are the key properties of methyl 2-[4-(2-amino-5-chlorobenzoyl)morpholin-2-yl]acetate?
methyl 2-[4-(2-amino-5-chlorobenzoyl)morpholin-2-yl]acetate has a molecular weight of 312.75 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-amino-5-chlorobenzoyl)morpholin-2-yl]acetate is sourced from PubChem (CID 115533261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).