2-(2-bromophenyl)-2-[formyl(propan-2-yl)amino]acetic acid

C12H14BrNO3 — CID 63701963

IUPAC2-(2-bromophenyl)-2-[formyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(C=O)C(C(=O)O)c1ccccc1Br
InChIInChI=1S/C12H14BrNO3/c1-8(2)14(7-15)11(12(16)17)9-5-3-4-6-10(9)13/h3-8,11H,1-2H3,(H,16,17)
InChIKeySWNRLZYXZRWDPQ-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.44
Rot. Bonds5

About 2-(2-bromophenyl)-2-[formyl(propan-2-yl)amino]acetic acid

2-(2-bromophenyl)-2-[formyl(propan-2-yl)amino]acetic acid (PubChem CID 63701963) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-[formyl(propan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-[formyl(propan-2-yl)amino]acetic acid
PubChem CID63701963
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name2-(2-bromophenyl)-2-[formyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(C=O)C(C(=O)O)c1ccccc1Br
InChIInChI=1S/C12H14BrNO3/c1-8(2)14(7-15)11(12(16)17)9-5-3-4-6-10(9)13/h3-8,11H,1-2H3,(H,16,17)
InChIKeySWNRLZYXZRWDPQ-UHFFFAOYSA-N
XLogP2.44
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.44
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

2-(2-propan-2-ylphenyl)propanoic acid
CID 66999361
2-(3,5-dichlorophenyl)-2-[formyl(propan-2-yl)amino]acetic acid
CID 55234208
2-[formyl(propan-2-yl)amino]-2-(5-methylthiophen-2-yl)acetic acid
CID 63705097
2-(3-bromo-2-fluorophenyl)propanoic acid
CID 83723745
(2R)-2-(2-bromophenyl)-2-methoxyacetic acid
CID 124585261
2-(3-chloro-4-hydroxyphenyl)-2-[formyl(propan-2-yl)amino]acetic acid
CID 55232202
2-[(2-bromophenyl)-hydroxymethyl]-3-methylbutanoic acid
CID 62398436
2,3-dibromo-3-(2-bromophenyl)propanoic acid
CID 5127524
(2S,3R)-2,3-dibromo-3-(2-bromophenyl)propanoic acid
CID 95858564
2-[1-(2-bromophenyl)ethyl-methylamino]butanoic acid
CID 65067636
3,5-bis(2-bromophenyl)-2,6-dimethylheptan-4-one
CID 141224766
(1S)-1-(2-bromophenyl)ethanol
CID 6950331

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-[formyl(propan-2-yl)amino]acetic acid?
The IUPAC name of 2-(2-bromophenyl)-2-[formyl(propan-2-yl)amino]acetic acid (CID 63701963) is 2-(2-bromophenyl)-2-[formyl(propan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-(2-bromophenyl)-2-[formyl(propan-2-yl)amino]acetic acid?
The canonical SMILES for 2-(2-bromophenyl)-2-[formyl(propan-2-yl)amino]acetic acid is CC(C)N(C=O)C(C(=O)O)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-2-[formyl(propan-2-yl)amino]acetic acid?
The InChIKey is SWNRLZYXZRWDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3/c1-8(2)14(7-15)11(12(16)17)9-5-3-4-6-10(9)13/h3-8,11H,1-2H3,(H,16,17).
What are the key properties of 2-(2-bromophenyl)-2-[formyl(propan-2-yl)amino]acetic acid?
2-(2-bromophenyl)-2-[formyl(propan-2-yl)amino]acetic acid has a molecular weight of 300.15 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-[formyl(propan-2-yl)amino]acetic acid is sourced from PubChem (CID 63701963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).