methyl 2-[(3-bromophenyl)carbamoylamino]acetate

C10H11BrN2O3 — CID 108870222

IUPACmethyl 2-[(3-bromophenyl)carbamoylamino]acetate
SMILESCOC(=O)CNC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C10H11BrN2O3/c1-16-9(14)6-12-10(15)13-8-4-2-3-7(11)5-8/h2-5H,6H2,1H3,(H2,12,13,15)
InChIKeyRKXMYHFQQMVLRR-UHFFFAOYSA-N
MW287.11 g/mol
LogP1.74
Rot. Bonds3

About methyl 2-[(3-bromophenyl)carbamoylamino]acetate

methyl 2-[(3-bromophenyl)carbamoylamino]acetate (PubChem CID 108870222) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is methyl 2-[(3-bromophenyl)carbamoylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-bromophenyl)carbamoylamino]acetate
PubChem CID108870222
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Namemethyl 2-[(3-bromophenyl)carbamoylamino]acetate
SMILESCOC(=O)CNC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C10H11BrN2O3/c1-16-9(14)6-12-10(15)13-8-4-2-3-7(11)5-8/h2-5H,6H2,1H3,(H2,12,13,15)
InChIKeyRKXMYHFQQMVLRR-UHFFFAOYSA-N
XLogP1.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(3-hydroxyphenyl)carbamoylamino]acetate
CID 108895907
2-[(3-bromophenyl)carbamoylamino]-N-methylacetamide
CID 47031802
2-[(3-bromophenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide
CID 1055744
1-(3-bromophenyl)-3-(3-oxobutyl)urea
CID 108895170
1-(3-bromophenyl)-3-(2-methyl-2-phenylpropyl)urea
CID 113213313
methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate
CID 55207927
1-(3-bromophenyl)-3-(3-hydroxybutyl)urea
CID 111336733
methyl 2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]acetate
CID 60660384
2-fluoro-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
CID 114002321
2-[[(3-bromophenyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107473884
1-(3-bromophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea
CID 108870224
N-[2-(3-bromoanilino)-2-oxoethyl]propanamide
CID 113000509

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-bromophenyl)carbamoylamino]acetate?
The IUPAC name of methyl 2-[(3-bromophenyl)carbamoylamino]acetate (CID 108870222) is methyl 2-[(3-bromophenyl)carbamoylamino]acetate.
What is the SMILES notation for methyl 2-[(3-bromophenyl)carbamoylamino]acetate?
The canonical SMILES for methyl 2-[(3-bromophenyl)carbamoylamino]acetate is COC(=O)CNC(=O)Nc1cccc(Br)c1.
What is the InChIKey of methyl 2-[(3-bromophenyl)carbamoylamino]acetate?
The InChIKey is RKXMYHFQQMVLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c1-16-9(14)6-12-10(15)13-8-4-2-3-7(11)5-8/h2-5H,6H2,1H3,(H2,12,13,15).
What are the key properties of methyl 2-[(3-bromophenyl)carbamoylamino]acetate?
methyl 2-[(3-bromophenyl)carbamoylamino]acetate has a molecular weight of 287.11 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-bromophenyl)carbamoylamino]acetate is sourced from PubChem (CID 108870222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).