2-[(3-bromophenyl)methylcarbamoylamino]acetic acid

C10H11BrN2O3 — CID 16781261

IUPAC2-[(3-bromophenyl)methylcarbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)NCc1cccc(Br)c1
InChIInChI=1S/C10H11BrN2O3/c11-8-3-1-2-7(4-8)5-12-10(16)13-6-9(14)15/h1-4H,5-6H2,(H,14,15)(H2,12,13,16)
InChIKeyDSHWFIDSBBWOLP-UHFFFAOYSA-N
MW287.11 g/mol
LogP1.33
Rot. Bonds4

About 2-[(3-bromophenyl)methylcarbamoylamino]acetic acid

2-[(3-bromophenyl)methylcarbamoylamino]acetic acid (PubChem CID 16781261) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methylcarbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-bromophenyl)methylcarbamoylamino]acetic acid
PubChem CID16781261
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name2-[(3-bromophenyl)methylcarbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)NCc1cccc(Br)c1
InChIInChI=1S/C10H11BrN2O3/c11-8-3-1-2-7(4-8)5-12-10(16)13-6-9(14)15/h1-4H,5-6H2,(H,14,15)(H2,12,13,16)
InChIKeyDSHWFIDSBBWOLP-UHFFFAOYSA-N
XLogP1.33
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromophenyl)methyl]-3-(2-phenylethyl)urea
CID 60601402
2-[(3-fluorophenyl)methylcarbamoylamino]acetic acid
CID 16780933
4-[(3-bromophenyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 61410306
1-benzyl-3-[2-(3-bromophenyl)ethyl]urea
CID 108871346
2-[(3-cyanophenyl)methylcarbamoylamino]acetic acid
CID 16795379
1-[(3-bromophenyl)methyl]-3-(2-cyanoethyl)urea
CID 108899023
2-[(3-bromophenyl)methylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide
CID 60601838
(2R)-2-[(3-bromophenyl)methylcarbamoylamino]-3-hydroxypropanoic acid
CID 80756236
2-[[2-(benzylcarbamoylamino)acetyl]amino]acetic acid
CID 61181658
1-[(3-bromophenyl)methyl]-3-pyrimidin-2-ylurea
CID 108898870
2-[2-[(3-bromophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 7357757
N-[4-[(3-bromophenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898790

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methylcarbamoylamino]acetic acid?
The IUPAC name of 2-[(3-bromophenyl)methylcarbamoylamino]acetic acid (CID 16781261) is 2-[(3-bromophenyl)methylcarbamoylamino]acetic acid.
What is the SMILES notation for 2-[(3-bromophenyl)methylcarbamoylamino]acetic acid?
The canonical SMILES for 2-[(3-bromophenyl)methylcarbamoylamino]acetic acid is O=C(O)CNC(=O)NCc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methylcarbamoylamino]acetic acid?
The InChIKey is DSHWFIDSBBWOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c11-8-3-1-2-7(4-8)5-12-10(16)13-6-9(14)15/h1-4H,5-6H2,(H,14,15)(H2,12,13,16).
What are the key properties of 2-[(3-bromophenyl)methylcarbamoylamino]acetic acid?
2-[(3-bromophenyl)methylcarbamoylamino]acetic acid has a molecular weight of 287.11 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methylcarbamoylamino]acetic acid is sourced from PubChem (CID 16781261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).