2-[(3-bromo-2-methylphenyl)carbamoylamino]oxyacetic acid

C10H11BrN2O4 — CID 107627485

IUPAC2-[(3-bromo-2-methylphenyl)carbamoylamino]oxyacetic acid
SMILESCc1c(Br)cccc1NC(=O)NOCC(=O)O
InChIInChI=1S/C10H11BrN2O4/c1-6-7(11)3-2-4-8(6)12-10(16)13-17-5-9(14)15/h2-4H,5H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyUVTMPDNVISZZBQ-UHFFFAOYSA-N
MW303.11 g/mol
LogP1.90
Rot. Bonds4

About 2-[(3-bromo-2-methylphenyl)carbamoylamino]oxyacetic acid

2-[(3-bromo-2-methylphenyl)carbamoylamino]oxyacetic acid (PubChem CID 107627485) has the molecular formula C10H11BrN2O4 and a molecular weight of 303.11 g/mol. Its IUPAC name is 2-[(3-bromo-2-methylphenyl)carbamoylamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(3-bromo-2-methylphenyl)carbamoylamino]oxyacetic acid
PubChem CID107627485
Molecular FormulaC10H11BrN2O4
Molecular Weight303.11 g/mol
Exact Mass301.99
IUPAC Name2-[(3-bromo-2-methylphenyl)carbamoylamino]oxyacetic acid
SMILESCc1c(Br)cccc1NC(=O)NOCC(=O)O
InChIInChI=1S/C10H11BrN2O4/c1-6-7(11)3-2-4-8(6)12-10(16)13-17-5-9(14)15/h2-4H,5H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyUVTMPDNVISZZBQ-UHFFFAOYSA-N
XLogP1.90
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3-bromo-2-methylphenyl)carbamoylamino]benzoic acid
CID 107627490
2-[(3-bromo-2-methylphenyl)carbamoyl-methylamino]acetic acid
CID 107627390
2-amino-N-(3-bromo-2-methylphenyl)butanamide
CID 103794806
2-[(3-bromo-2-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 107627218
(2S)-2-amino-N-(3-bromo-2-methylphenyl)-3-methylpentanamide
CID 103832917
N-(3-bromo-2-methylphenyl)-2-hydroxyacetamide
CID 123237382
5-[(3-bromo-2-methylphenyl)carbamoylamino]hexanoic acid
CID 107627437
2-[(3-bromo-2-methylphenyl)carbamoylamino]-4-methoxybutanoic acid
CID 107627351
N-(3-bromo-2-methylphenyl)-2-phenylpropanamide
CID 104917334
2-[(2-bromo-6-chlorobenzoyl)amino]oxyacetic acid
CID 86120715
2-anilino-N-(3-bromo-2-methylphenyl)acetamide
CID 50874354
N-(3-bromo-2-methylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119706176

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2-methylphenyl)carbamoylamino]oxyacetic acid?
The IUPAC name of 2-[(3-bromo-2-methylphenyl)carbamoylamino]oxyacetic acid (CID 107627485) is 2-[(3-bromo-2-methylphenyl)carbamoylamino]oxyacetic acid.
What is the SMILES notation for 2-[(3-bromo-2-methylphenyl)carbamoylamino]oxyacetic acid?
The canonical SMILES for 2-[(3-bromo-2-methylphenyl)carbamoylamino]oxyacetic acid is Cc1c(Br)cccc1NC(=O)NOCC(=O)O.
What is the InChIKey of 2-[(3-bromo-2-methylphenyl)carbamoylamino]oxyacetic acid?
The InChIKey is UVTMPDNVISZZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O4/c1-6-7(11)3-2-4-8(6)12-10(16)13-17-5-9(14)15/h2-4H,5H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-[(3-bromo-2-methylphenyl)carbamoylamino]oxyacetic acid?
2-[(3-bromo-2-methylphenyl)carbamoylamino]oxyacetic acid has a molecular weight of 303.11 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2-methylphenyl)carbamoylamino]oxyacetic acid is sourced from PubChem (CID 107627485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).