methyl 3-[(4-bromophenyl)carbamoylamino]propanoate

C11H13BrN2O3 — CID 47361141

IUPACmethyl 3-[(4-bromophenyl)carbamoylamino]propanoate
SMILESCOC(=O)CCNC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H13BrN2O3/c1-17-10(15)6-7-13-11(16)14-9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H2,13,14,16)
InChIKeyIOFRRGUCYFDYHL-UHFFFAOYSA-N
MW301.14 g/mol
LogP2.13
Rot. Bonds4

About methyl 3-[(4-bromophenyl)carbamoylamino]propanoate

methyl 3-[(4-bromophenyl)carbamoylamino]propanoate (PubChem CID 47361141) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is methyl 3-[(4-bromophenyl)carbamoylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-bromophenyl)carbamoylamino]propanoate
PubChem CID47361141
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Namemethyl 3-[(4-bromophenyl)carbamoylamino]propanoate
SMILESCOC(=O)CCNC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H13BrN2O3/c1-17-10(15)6-7-13-11(16)14-9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H2,13,14,16)
InChIKeyIOFRRGUCYFDYHL-UHFFFAOYSA-N
XLogP2.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(3,4-dichlorophenyl)carbamoylamino]propanoate
CID 3810392
3-[4-[(3-methoxy-3-oxopropyl)carbamoylamino]phenyl]prop-2-enoic acid
CID 61299940
methyl 3-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoylamino]propanoate
CID 56792823
3-[(4-bromophenyl)carbamoylamino]-N-(3,4-dimethylphenyl)propanamide
CID 55765106
3-[(4-bromophenyl)carbamoylamino]-N-[2-(ethylamino)ethyl]propanamide
CID 119508627
3-[(4-bromophenyl)carbamoylamino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 55796869
1-(4-bromophenyl)-3-(2-methoxyethoxymethyl)urea
CID 108894240
2-chloro-5-[(3-methoxy-3-oxopropyl)carbamoylamino]benzoic acid
CID 61301290
2-hydroxy-4-[(3-methoxy-3-oxopropyl)carbamoylamino]benzoic acid
CID 61301287
7-[(4-bromophenyl)carbamoylamino]heptanoic acid
CID 61190824
methyl 3-[(3-chlorophenyl)carbamoylamino]propanoate
CID 3440134
3-[(4-bromophenyl)carbamoylamino]-N-[(4-methoxyphenyl)-phenylmethyl]propanamide
CID 55773754

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-bromophenyl)carbamoylamino]propanoate?
The IUPAC name of methyl 3-[(4-bromophenyl)carbamoylamino]propanoate (CID 47361141) is methyl 3-[(4-bromophenyl)carbamoylamino]propanoate.
What is the SMILES notation for methyl 3-[(4-bromophenyl)carbamoylamino]propanoate?
The canonical SMILES for methyl 3-[(4-bromophenyl)carbamoylamino]propanoate is COC(=O)CCNC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of methyl 3-[(4-bromophenyl)carbamoylamino]propanoate?
The InChIKey is IOFRRGUCYFDYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c1-17-10(15)6-7-13-11(16)14-9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H2,13,14,16).
What are the key properties of methyl 3-[(4-bromophenyl)carbamoylamino]propanoate?
methyl 3-[(4-bromophenyl)carbamoylamino]propanoate has a molecular weight of 301.14 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-bromophenyl)carbamoylamino]propanoate is sourced from PubChem (CID 47361141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).