methyl 2-[2-(4-chlorophenoxy)propanoylamino]acetate

C12H14ClNO4 — CID 43404771

IUPACmethyl 2-[2-(4-chlorophenoxy)propanoylamino]acetate
SMILESCOC(=O)CNC(=O)C(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO4/c1-8(12(16)14-7-11(15)17-2)18-10-5-3-9(13)4-6-10/h3-6,8H,7H2,1-2H3,(H,14,16)
InChIKeyUIIGZKYPHYUQNN-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.40
Rot. Bonds5

About methyl 2-[2-(4-chlorophenoxy)propanoylamino]acetate

methyl 2-[2-(4-chlorophenoxy)propanoylamino]acetate (PubChem CID 43404771) has the molecular formula C12H14ClNO4 and a molecular weight of 271.70 g/mol. Its IUPAC name is methyl 2-[2-(4-chlorophenoxy)propanoylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(4-chlorophenoxy)propanoylamino]acetate
PubChem CID43404771
Molecular FormulaC12H14ClNO4
Molecular Weight271.70 g/mol
Exact Mass271.06
IUPAC Namemethyl 2-[2-(4-chlorophenoxy)propanoylamino]acetate
SMILESCOC(=O)CNC(=O)C(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO4/c1-8(12(16)14-7-11(15)17-2)18-10-5-3-9(13)4-6-10/h3-6,8H,7H2,1-2H3,(H,14,16)
InChIKeyUIIGZKYPHYUQNN-UHFFFAOYSA-N
XLogP1.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
2-(4-chlorophenoxy)-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 18145731
(2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2711643
(2R)-2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]propanamide
CID 41368435
2-(4-chlorophenoxy)-N-[2-(propanoylamino)ethyl]propanamide
CID 108541480
ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]acetate
CID 47257620
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
CID 108572718
(2S)-4-[2-(4-chlorophenoxy)propanoylamino]-2-hydroxybutanoic acid
CID 107834513
(2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-propylpropanamide
CID 8887384
2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide
CID 133164152
methyl 2-[2-[4-(1-adamantyl)phenoxy]propanoylamino]acetate
CID 75402925
(2S)-2-(4-chlorophenoxy)-N-(2-methoxyethoxy)propanamide
CID 164935442

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-chlorophenoxy)propanoylamino]acetate?
The IUPAC name of methyl 2-[2-(4-chlorophenoxy)propanoylamino]acetate (CID 43404771) is methyl 2-[2-(4-chlorophenoxy)propanoylamino]acetate.
What is the SMILES notation for methyl 2-[2-(4-chlorophenoxy)propanoylamino]acetate?
The canonical SMILES for methyl 2-[2-(4-chlorophenoxy)propanoylamino]acetate is COC(=O)CNC(=O)C(C)Oc1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[2-(4-chlorophenoxy)propanoylamino]acetate?
The InChIKey is UIIGZKYPHYUQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4/c1-8(12(16)14-7-11(15)17-2)18-10-5-3-9(13)4-6-10/h3-6,8H,7H2,1-2H3,(H,14,16).
What are the key properties of methyl 2-[2-(4-chlorophenoxy)propanoylamino]acetate?
methyl 2-[2-(4-chlorophenoxy)propanoylamino]acetate has a molecular weight of 271.70 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-chlorophenoxy)propanoylamino]acetate is sourced from PubChem (CID 43404771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).