methyl 2-[4-(carbamoylamino)phenyl]propanoate

C11H14N2O3 — CID 67303594

IUPACmethyl 2-[4-(carbamoylamino)phenyl]propanoate
SMILESCOC(=O)C(C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C11H14N2O3/c1-7(10(14)16-2)8-3-5-9(6-4-8)13-11(12)15/h3-7H,1-2H3,(H3,12,13,15)
InChIKeyHXAMUXFIQLEMOM-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.45
Rot. Bonds3

About methyl 2-[4-(carbamoylamino)phenyl]propanoate

methyl 2-[4-(carbamoylamino)phenyl]propanoate (PubChem CID 67303594) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 2-[4-(carbamoylamino)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-(carbamoylamino)phenyl]propanoate
PubChem CID67303594
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namemethyl 2-[4-(carbamoylamino)phenyl]propanoate
SMILESCOC(=O)C(C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C11H14N2O3/c1-7(10(14)16-2)8-3-5-9(6-4-8)13-11(12)15/h3-7H,1-2H3,(H3,12,13,15)
InChIKeyHXAMUXFIQLEMOM-UHFFFAOYSA-N
XLogP1.45
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl 2-[4-(carbamoylamino)phenyl]propanoate 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

methyl (2S)-2-[1-[4-(carbamoylamino)phenyl]ethylamino]propanoate
CID 43786771
[4-[1-(methoxyamino)ethyl]phenyl]urea
CID 82706415
methyl 2-(4-formamidophenyl)propanoate
CID 11356229
methyl 2-(4-aminophenyl)propanoate
CID 3016109
N-[4-(carbamoylamino)phenyl]-2-methoxypropanamide
CID 47311851
2-[4-(carbamothioylamino)phenyl]propanoic acid
CID 87347956
[4-[1-(pentan-3-ylamino)ethyl]phenyl]urea
CID 43750016
methyl 2-[4-(1-oxopropan-2-yl)phenyl]propanoate
CID 605628
methyl 2-[4-(1-iodo-2-methylpropyl)phenyl]propanoate
CID 163571659
[4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea
CID 81350343
methyl 2-[4-(iodomethyl)phenyl]propanoate
CID 142631167
methyl 2-[4-(2,3-dihydroxypropylamino)phenyl]propanoate
CID 168594899

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(carbamoylamino)phenyl]propanoate?
The IUPAC name of methyl 2-[4-(carbamoylamino)phenyl]propanoate (CID 67303594) is methyl 2-[4-(carbamoylamino)phenyl]propanoate.
What is the SMILES notation for methyl 2-[4-(carbamoylamino)phenyl]propanoate?
The canonical SMILES for methyl 2-[4-(carbamoylamino)phenyl]propanoate is COC(=O)C(C)c1ccc(NC(N)=O)cc1.
What is the InChIKey of methyl 2-[4-(carbamoylamino)phenyl]propanoate?
The InChIKey is HXAMUXFIQLEMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7(10(14)16-2)8-3-5-9(6-4-8)13-11(12)15/h3-7H,1-2H3,(H3,12,13,15).
What are the key properties of methyl 2-[4-(carbamoylamino)phenyl]propanoate?
methyl 2-[4-(carbamoylamino)phenyl]propanoate has a molecular weight of 222.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(carbamoylamino)phenyl]propanoate is sourced from PubChem (CID 67303594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).