2-[(2-amino-2-oxoethyl)-[(2-bromo-3-chlorophenyl)carbamoyl]amino]acetic acid

C11H11BrClN3O4 — CID 107439466

IUPAC2-[(2-amino-2-oxoethyl)-[(2-bromo-3-chlorophenyl)carbamoyl]amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C11H11BrClN3O4/c12-10-6(13)2-1-3-7(10)15-11(20)16(4-8(14)17)5-9(18)19/h1-3H,4-5H2,(H2,14,17)(H,15,20)(H,18,19)
InChIKeyATLFFOWXLSIKAO-UHFFFAOYSA-N
MW364.58 g/mol
LogP1.51
Rot. Bonds5

About 2-[(2-amino-2-oxoethyl)-[(2-bromo-3-chlorophenyl)carbamoyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[(2-bromo-3-chlorophenyl)carbamoyl]amino]acetic acid (PubChem CID 107439466) has the molecular formula C11H11BrClN3O4 and a molecular weight of 364.58 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[(2-bromo-3-chlorophenyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[(2-bromo-3-chlorophenyl)carbamoyl]amino]acetic acid
PubChem CID107439466
Molecular FormulaC11H11BrClN3O4
Molecular Weight364.58 g/mol
Exact Mass362.96
IUPAC Name2-[(2-amino-2-oxoethyl)-[(2-bromo-3-chlorophenyl)carbamoyl]amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C11H11BrClN3O4/c12-10-6(13)2-1-3-7(10)15-11(20)16(4-8(14)17)5-9(18)19/h1-3H,4-5H2,(H2,14,17)(H,15,20)(H,18,19)
InChIKeyATLFFOWXLSIKAO-UHFFFAOYSA-N
XLogP1.51
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.58
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-2-oxoethyl)-[(3-chloro-2-methylphenyl)carbamoyl]amino]acetic acid
CID 107437366
2-[(2-bromo-3-chlorophenyl)carbamoyl-methylamino]acetic acid
CID 103480815
2-[(2-amino-2-oxoethyl)-[(2-cyano-3-fluorophenyl)carbamoyl]amino]acetic acid
CID 107438042
2-[(2-amino-2-oxoethyl)-[(2-methyl-3-pyridinyl)carbamoyl]amino]acetic acid
CID 107438962
2-[(2-amino-2-oxoethyl)-[(2-bromo-5-methylphenyl)carbamoyl]amino]acetic acid
CID 107439128
2-[(2-amino-2-oxoethyl)-[(2-chloro-4-cyanophenyl)carbamoyl]amino]acetic acid
CID 107809366
2-[(2-amino-2-oxoethyl)-[[2-(methoxymethyl)phenyl]carbamoyl]amino]acetic acid
CID 107438314
3-amino-N-(2-bromo-3-chlorophenyl)-3-sulfanylidenepropanamide
CID 103479588
2-[(2-amino-2-oxoethyl)-[(2,3,4-trifluorophenyl)carbamoyl]amino]acetic acid
CID 107437408
2-bromo-N-(2-bromo-3-chlorophenyl)acetamide
CID 103478721
5-amino-2-[(2-bromo-3-chlorophenyl)carbamoylamino]-5-oxopentanoic acid
CID 103480866
2-[(2-chlorophenyl)carbamoyl-sulfanylamino]acetamide
CID 57266562

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[(2-bromo-3-chlorophenyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[(2-bromo-3-chlorophenyl)carbamoyl]amino]acetic acid (CID 107439466) is 2-[(2-amino-2-oxoethyl)-[(2-bromo-3-chlorophenyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[(2-bromo-3-chlorophenyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[(2-bromo-3-chlorophenyl)carbamoyl]amino]acetic acid is NC(=O)CN(CC(=O)O)C(=O)Nc1cccc(Cl)c1Br.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[(2-bromo-3-chlorophenyl)carbamoyl]amino]acetic acid?
The InChIKey is ATLFFOWXLSIKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3O4/c12-10-6(13)2-1-3-7(10)15-11(20)16(4-8(14)17)5-9(18)19/h1-3H,4-5H2,(H2,14,17)(H,15,20)(H,18,19).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[(2-bromo-3-chlorophenyl)carbamoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[(2-bromo-3-chlorophenyl)carbamoyl]amino]acetic acid has a molecular weight of 364.58 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[(2-bromo-3-chlorophenyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 107439466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).