2-[(4-bromophenoxy)carbonylamino]acetic acid

C9H8BrNO4 — CID 82306718

IUPAC2-[(4-bromophenoxy)carbonylamino]acetic acid
SMILESO=C(O)CNC(=O)Oc1ccc(Br)cc1
InChIInChI=1S/C9H8BrNO4/c10-6-1-3-7(4-2-6)15-9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)
InChIKeyGGVGHSZAODENAZ-UHFFFAOYSA-N
MW274.07 g/mol
LogP1.62
Rot. Bonds3

About 2-[(4-bromophenoxy)carbonylamino]acetic acid

2-[(4-bromophenoxy)carbonylamino]acetic acid (PubChem CID 82306718) has the molecular formula C9H8BrNO4 and a molecular weight of 274.07 g/mol. Its IUPAC name is 2-[(4-bromophenoxy)carbonylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-bromophenoxy)carbonylamino]acetic acid
PubChem CID82306718
Molecular FormulaC9H8BrNO4
Molecular Weight274.07 g/mol
Exact Mass272.96
IUPAC Name2-[(4-bromophenoxy)carbonylamino]acetic acid
SMILESO=C(O)CNC(=O)Oc1ccc(Br)cc1
InChIInChI=1S/C9H8BrNO4/c10-6-1-3-7(4-2-6)15-9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)
InChIKeyGGVGHSZAODENAZ-UHFFFAOYSA-N
XLogP1.62
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.07
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4-difluorophenoxy)carbonylamino]acetic acid
CID 82289036
(4-bromophenyl) N-(3-aminopropyl)carbamate
CID 116819177
(4-bromophenyl) N-(sulfonylmethyl)carbamate
CID 87609424
(4-bromophenyl) N-oxamoylcarbamate
CID 171934087
phenyl N-(2-oxopropyl)carbamate
CID 18713777
(4-bromophenyl) N-ethynylcarbamate
CID 118588818
2-[2-(4-bromophenoxy)ethylamino]acetic acid
CID 43466024
2-[(4-bromophenoxy)carbonylamino]-2-methylpropanoic acid
CID 116819598
2-(methoxycarbonylamino)acetic acid;1-methoxy-4-methylbenzene
CID 142371209
2-[(4-acetyloxyphenyl)methoxycarbonylamino]acetic acid
CID 86217606
2-(4-bromoanilino)acetic acid
CID 6917281
(4-bromophenyl) cycloprop-2-ene-1-carboxylate
CID 175603214

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenoxy)carbonylamino]acetic acid?
The IUPAC name of 2-[(4-bromophenoxy)carbonylamino]acetic acid (CID 82306718) is 2-[(4-bromophenoxy)carbonylamino]acetic acid.
What is the SMILES notation for 2-[(4-bromophenoxy)carbonylamino]acetic acid?
The canonical SMILES for 2-[(4-bromophenoxy)carbonylamino]acetic acid is O=C(O)CNC(=O)Oc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenoxy)carbonylamino]acetic acid?
The InChIKey is GGVGHSZAODENAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO4/c10-6-1-3-7(4-2-6)15-9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13).
What are the key properties of 2-[(4-bromophenoxy)carbonylamino]acetic acid?
2-[(4-bromophenoxy)carbonylamino]acetic acid has a molecular weight of 274.07 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenoxy)carbonylamino]acetic acid is sourced from PubChem (CID 82306718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).