methyl 3-(4-carbamoylphenoxy)propanoate

C11H13NO4 — CID 28879864

IUPACmethyl 3-(4-carbamoylphenoxy)propanoate
SMILESCOC(=O)CCOc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H13NO4/c1-15-10(13)6-7-16-9-4-2-8(3-5-9)11(12)14/h2-5H,6-7H2,1H3,(H2,12,14)
InChIKeyUYZQSGLIUITDHX-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.73
Rot. Bonds5

About methyl 3-(4-carbamoylphenoxy)propanoate

methyl 3-(4-carbamoylphenoxy)propanoate (PubChem CID 28879864) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl 3-(4-carbamoylphenoxy)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-carbamoylphenoxy)propanoate
PubChem CID28879864
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Namemethyl 3-(4-carbamoylphenoxy)propanoate
SMILESCOC(=O)CCOc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H13NO4/c1-15-10(13)6-7-16-9-4-2-8(3-5-9)11(12)14/h2-5H,6-7H2,1H3,(H2,12,14)
InChIKeyUYZQSGLIUITDHX-UHFFFAOYSA-N
XLogP0.73
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanoate
CID 78955010
4-[3-[[(2S)-5-methylhexan-2-yl]amino]-3-oxopropoxy]benzamide
CID 95972620
4-(4-propoxyphenyl)benzamide
CID 23771495
[2-(4-carbamoylanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 7856033
4-[3-oxo-3-(thiophen-3-ylamino)propoxy]benzamide
CID 71863349
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-(4-acetylphenoxy)propanoate
CID 46514008
2-(4-carbamoylphenoxy)ethylcarbamic acid
CID 18523671
methyl 3-[4-(2-hydroxypropyl)phenoxy]propanoate
CID 113323144
methyl 3-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate
CID 3054668
4-[3-(4-carboxyphenoxy)-3-oxopropoxy]benzoic acid
CID 57061143
methyl 4-(4-carbamoylanilino)-4-oxobutanoate
CID 721935
4-[4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]phenoxy]benzamide
CID 56545946

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-carbamoylphenoxy)propanoate?
The IUPAC name of methyl 3-(4-carbamoylphenoxy)propanoate (CID 28879864) is methyl 3-(4-carbamoylphenoxy)propanoate.
What is the SMILES notation for methyl 3-(4-carbamoylphenoxy)propanoate?
The canonical SMILES for methyl 3-(4-carbamoylphenoxy)propanoate is COC(=O)CCOc1ccc(C(N)=O)cc1.
What is the InChIKey of methyl 3-(4-carbamoylphenoxy)propanoate?
The InChIKey is UYZQSGLIUITDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-15-10(13)6-7-16-9-4-2-8(3-5-9)11(12)14/h2-5H,6-7H2,1H3,(H2,12,14).
What are the key properties of methyl 3-(4-carbamoylphenoxy)propanoate?
methyl 3-(4-carbamoylphenoxy)propanoate has a molecular weight of 223.23 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-carbamoylphenoxy)propanoate is sourced from PubChem (CID 28879864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).