2-[(4-bromophenyl)methyl-formylamino]acetic acid

C10H10BrNO3 — CID 90106180

IUPAC2-[(4-bromophenyl)methyl-formylamino]acetic acid
SMILESO=CN(CC(=O)O)Cc1ccc(Br)cc1
InChIInChI=1S/C10H10BrNO3/c11-9-3-1-8(2-4-9)5-12(7-13)6-10(14)15/h1-4,7H,5-6H2,(H,14,15)
InChIKeyOHKLWMCMMVMZLX-UHFFFAOYSA-N
MW272.10 g/mol
LogP1.49
Rot. Bonds5

About 2-[(4-bromophenyl)methyl-formylamino]acetic acid

2-[(4-bromophenyl)methyl-formylamino]acetic acid (PubChem CID 90106180) has the molecular formula C10H10BrNO3 and a molecular weight of 272.10 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-formylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-formylamino]acetic acid
PubChem CID90106180
Molecular FormulaC10H10BrNO3
Molecular Weight272.10 g/mol
Exact Mass270.98
IUPAC Name2-[(4-bromophenyl)methyl-formylamino]acetic acid
SMILESO=CN(CC(=O)O)Cc1ccc(Br)cc1
InChIInChI=1S/C10H10BrNO3/c11-9-3-1-8(2-4-9)5-12(7-13)6-10(14)15/h1-4,7H,5-6H2,(H,14,15)
InChIKeyOHKLWMCMMVMZLX-UHFFFAOYSA-N
XLogP1.49
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[(4-bromophenyl)methyl-(carboxymethyl)amino]methyl]phthalic acid
CID 122189616
N-benzyl-N-[(3-bromophenyl)methyl]formamide
CID 87851902
2-[[2-(4-bromophenyl)acetyl]-ethylamino]acetic acid
CID 54901024
lithium;2-(4-bromophenyl)acetic acid;carbanide
CID 161336819
N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide
CID 103601047
1-[(4-bromophenyl)methyl]-1-hydroxyurea
CID 19780436
2-[2-[bis(carboxymethyl)amino]ethyl-[[4-[[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]methyl]phenyl]methyl]amino]acetic acid
CID 163523536
2-[carboxymethyl-[(4-hydroxyphenyl)methyl]amino]acetic acid
CID 23422378
(Z)-5-(4-bromophenyl)pent-3-enoic acid
CID 117267985
4-[(4-bromophenyl)methyl-methylamino]-3,3-dimethyl-4-oxobutanoic acid
CID 115164853
N-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82132454
4-(4-bromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)butanoic acid
CID 50940550

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-formylamino]acetic acid?
The IUPAC name of 2-[(4-bromophenyl)methyl-formylamino]acetic acid (CID 90106180) is 2-[(4-bromophenyl)methyl-formylamino]acetic acid.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-formylamino]acetic acid?
The canonical SMILES for 2-[(4-bromophenyl)methyl-formylamino]acetic acid is O=CN(CC(=O)O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-formylamino]acetic acid?
The InChIKey is OHKLWMCMMVMZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3/c11-9-3-1-8(2-4-9)5-12(7-13)6-10(14)15/h1-4,7H,5-6H2,(H,14,15).
What are the key properties of 2-[(4-bromophenyl)methyl-formylamino]acetic acid?
2-[(4-bromophenyl)methyl-formylamino]acetic acid has a molecular weight of 272.10 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-formylamino]acetic acid is sourced from PubChem (CID 90106180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).