2-(4-bromophenyl)-2-[methoxy(methyl)amino]acetic acid

C10H12BrNO3 — CID 11219545

IUPAC2-(4-bromophenyl)-2-[methoxy(methyl)amino]acetic acid
SMILESCON(C)C(C(=O)O)c1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO3/c1-12(15-2)9(10(13)14)7-3-5-8(11)6-4-7/h3-6,9H,1-2H3,(H,13,14)
InChIKeyJNIORFRHJFOIGN-UHFFFAOYSA-N
MW274.11 g/mol
LogP2.07
Rot. Bonds4

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

2-(4-bromophenyl)-2-[methoxy(methyl)amino]acetic acid (PubChem CID 11219545) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-[methoxy(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-[methoxy(methyl)amino]acetic acid
PubChem CID11219545
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name2-(4-bromophenyl)-2-[methoxy(methyl)amino]acetic acid
SMILESCON(C)C(C(=O)O)c1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO3/c1-12(15-2)9(10(13)14)7-3-5-8(11)6-4-7/h3-6,9H,1-2H3,(H,13,14)
InChIKeyJNIORFRHJFOIGN-UHFFFAOYSA-N
XLogP2.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 52.07
H-Bond Donors ≤ 51
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-(4-bromophenyl)-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid
CID 103664223
2-[(4-bromophenyl)methyl-methylamino]-2-(4-methylphenyl)acetic acid
CID 42954019
methyl (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-2-(4-bromophenyl)acetate
CID 95771276
3-(4-bromophenyl)-3-(dimethylamino)-2-methylpropanoic acid
CID 116908037
methyl (2S)-2-(4-bromophenyl)-2-[2-methoxyethyl(methyl)amino]acetate
CID 95980534
(2R)-2-(dimethylamino)-2-(4-hydroxyphenyl)acetic acid
CID 93297353
2-(4-bromophenyl)-3,3-dimethylbutanoic acid
CID 67987841
(2R)-2-(4-bromophenyl)butanoic acid
CID 38988623
2-(4-bromophenyl)-3-ethoxy-3-oxopropanoic acid
CID 23372308
[1-(4-bromophenyl)-2,2-dimethylpropyl]-methylcarbamic acid
CID 67120690
(2R)-2-(4-bromo-N-methylanilino)propanoic acid
CID 100519053
2-(3-bromo-4-methoxyphenyl)-2-[formyl(methyl)amino]acetic acid
CID 63688709

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-[methoxy(methyl)amino]acetic acid?
The IUPAC name of 2-(4-bromophenyl)-2-[methoxy(methyl)amino]acetic acid (CID 11219545) is 2-(4-bromophenyl)-2-[methoxy(methyl)amino]acetic acid.
What is the SMILES notation for 2-(4-bromophenyl)-2-[methoxy(methyl)amino]acetic acid?
The canonical SMILES for 2-(4-bromophenyl)-2-[methoxy(methyl)amino]acetic acid is CON(C)C(C(=O)O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-[methoxy(methyl)amino]acetic acid?
The InChIKey is JNIORFRHJFOIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-12(15-2)9(10(13)14)7-3-5-8(11)6-4-7/h3-6,9H,1-2H3,(H,13,14).
What are the key properties of 2-(4-bromophenyl)-2-[methoxy(methyl)amino]acetic acid?
2-(4-bromophenyl)-2-[methoxy(methyl)amino]acetic acid has a molecular weight of 274.11 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-[methoxy(methyl)amino]acetic acid is sourced from PubChem (CID 11219545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).