methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate

C13H15NO4 — CID 47170141

IUPACmethyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
SMILESCOC(=O)COc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C13H15NO4/c1-17-12(15)8-18-11-4-2-3-10(7-11)14-13(16)9-5-6-9/h2-4,7,9H,5-6,8H2,1H3,(H,14,16)
InChIKeyYBJKWTFCDRSBTN-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.59
Rot. Bonds5

About methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate

methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate (PubChem CID 47170141) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
PubChem CID47170141
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Namemethyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
SMILESCOC(=O)COc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C13H15NO4/c1-17-12(15)8-18-11-4-2-3-10(7-11)14-13(16)9-5-6-9/h2-4,7,9H,5-6,8H2,1H3,(H,14,16)
InChIKeyYBJKWTFCDRSBTN-UHFFFAOYSA-N
XLogP1.59
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate 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

N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
methyl 2-[3-[(5-oxopyrrolidine-3-carbonyl)amino]phenoxy]acetate
CID 78982577
4-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 60849251
N-[3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 95567750
4-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672572
N-[3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropanecarboxamide
CID 109416121
methyl 2-[3-(2-cyclopropylpropanoylamino)phenoxy]acetate
CID 79506458
N-[3-[2-[4-(methylcarbamoylamino)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46545768
N-[3-[2-(3,5-difluoro-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 87031657
3-(cyclopropanecarbonylamino)-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 55879231
methyl 2-[3-(but-3-ynoylamino)phenoxy]acetate
CID 114028677
2-[3-(thiane-4-carbonylamino)phenoxy]acetic acid
CID 120523516

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate?
The IUPAC name of methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate (CID 47170141) is methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate?
The canonical SMILES for methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate is COC(=O)COc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate?
The InChIKey is YBJKWTFCDRSBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-17-12(15)8-18-11-4-2-3-10(7-11)14-13(16)9-5-6-9/h2-4,7,9H,5-6,8H2,1H3,(H,14,16).
What are the key properties of methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate?
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate has a molecular weight of 249.27 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate is sourced from PubChem (CID 47170141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).