2-[(2-amino-5-bromobenzoyl)-methylamino]acetic acid

C10H11BrN2O3 — CID 82547324

IUPAC2-[(2-amino-5-bromobenzoyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1cc(Br)ccc1N
InChIInChI=1S/C10H11BrN2O3/c1-13(5-9(14)15)10(16)7-4-6(11)2-3-8(7)12/h2-4H,5,12H2,1H3,(H,14,15)
InChIKeyGETCJZSNSWSWLL-UHFFFAOYSA-N
MW287.11 g/mol
LogP1.19
Rot. Bonds3

About 2-[(2-amino-5-bromobenzoyl)-methylamino]acetic acid

2-[(2-amino-5-bromobenzoyl)-methylamino]acetic acid (PubChem CID 82547324) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is 2-[(2-amino-5-bromobenzoyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-5-bromobenzoyl)-methylamino]acetic acid
PubChem CID82547324
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name2-[(2-amino-5-bromobenzoyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1cc(Br)ccc1N
InChIInChI=1S/C10H11BrN2O3/c1-13(5-9(14)15)10(16)7-4-6(11)2-3-8(7)12/h2-4H,5,12H2,1H3,(H,14,15)
InChIKeyGETCJZSNSWSWLL-UHFFFAOYSA-N
XLogP1.19
TPSA83.63 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 ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2,5-dibromobenzoyl)-methylamino]acetic acid
CID 114367825
N-(2-amino-2-oxoethyl)-5-bromo-N,2-dimethylbenzamide
CID 65307029
2-[4-bromo-2-(dimethylcarbamoyl)phenyl]acetic acid
CID 69249944
bis(2-amino-5-bromobenzoic acid);nickel
CID 4112549
bis(2-amino-5-bromobenzoic acid);cobalt
CID 5074264
CID 144689894
CID 144689894
2-[(2-amino-4-bromobenzoyl)-propylamino]acetic acid
CID 79721744
N-(2-amino-2-sulfanylideneethyl)-2,4-dibromo-N-methylbenzamide
CID 107938956
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-5-bromo-2-iodo-N-methylbenzamide
CID 114032684
2-[(4-fluoro-2-hydroxybenzoyl)-methylamino]acetic acid
CID 107013339
2-amino-4-bromo-N,N-dimethylbenzamide
CID 79714600
2,5-dibromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide
CID 114370914

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-bromobenzoyl)-methylamino]acetic acid?
The IUPAC name of 2-[(2-amino-5-bromobenzoyl)-methylamino]acetic acid (CID 82547324) is 2-[(2-amino-5-bromobenzoyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(2-amino-5-bromobenzoyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(2-amino-5-bromobenzoyl)-methylamino]acetic acid is CN(CC(=O)O)C(=O)c1cc(Br)ccc1N.
What is the InChIKey of 2-[(2-amino-5-bromobenzoyl)-methylamino]acetic acid?
The InChIKey is GETCJZSNSWSWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c1-13(5-9(14)15)10(16)7-4-6(11)2-3-8(7)12/h2-4H,5,12H2,1H3,(H,14,15).
What are the key properties of 2-[(2-amino-5-bromobenzoyl)-methylamino]acetic acid?
2-[(2-amino-5-bromobenzoyl)-methylamino]acetic acid has a molecular weight of 287.11 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-bromobenzoyl)-methylamino]acetic acid is sourced from PubChem (CID 82547324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).