2-(3-bromophenyl)-2-[ethyl(formyl)amino]acetic acid

C11H12BrNO3 — CID 63688329

IUPAC2-(3-bromophenyl)-2-[ethyl(formyl)amino]acetic acid
SMILESCCN(C=O)C(C(=O)O)c1cccc(Br)c1
InChIInChI=1S/C11H12BrNO3/c1-2-13(7-14)10(11(15)16)8-4-3-5-9(12)6-8/h3-7,10H,2H2,1H3,(H,15,16)
InChIKeyTZZNMQXSHGSLKF-UHFFFAOYSA-N
MW286.12 g/mol
LogP2.05
Rot. Bonds5

About 2-(3-bromophenyl)-2-[ethyl(formyl)amino]acetic acid

2-(3-bromophenyl)-2-[ethyl(formyl)amino]acetic acid (PubChem CID 63688329) has the molecular formula C11H12BrNO3 and a molecular weight of 286.12 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-[ethyl(formyl)amino]acetic acid.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-[ethyl(formyl)amino]acetic acid
PubChem CID63688329
Molecular FormulaC11H12BrNO3
Molecular Weight286.12 g/mol
Exact Mass285.00
IUPAC Name2-(3-bromophenyl)-2-[ethyl(formyl)amino]acetic acid
SMILESCCN(C=O)C(C(=O)O)c1cccc(Br)c1
InChIInChI=1S/C11H12BrNO3/c1-2-13(7-14)10(11(15)16)8-4-3-5-9(12)6-8/h3-7,10H,2H2,1H3,(H,15,16)
InChIKeyTZZNMQXSHGSLKF-UHFFFAOYSA-N
XLogP2.05
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 52.05
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-[ethyl(formyl)amino]-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 63688513
2-[ethyl(formyl)amino]-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 63687210
2-(3,5-dimethoxyphenyl)-2-[ethyl(formyl)amino]acetic acid
CID 63689435
2-[ethyl(formyl)amino]-2-naphthalen-1-ylacetic acid
CID 63688328
2-(4,5-dibromothiophen-2-yl)-2-[ethyl(formyl)amino]acetic acid
CID 102841092
2-(3-bromophenyl)butanal
CID 83839920
2-[formyl(propyl)amino]-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 107104777
2-[ethyl(formyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 63688327
2-(3-bromophenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 59825102
3-[1-(3-bromophenyl)propyl-ethylamino]butanoic acid
CID 114079264
2-(3-bromophenyl)-3-methylbutanoic acid
CID 23317028
2-(3-bromophenyl)-2-(propanoylamino)acetic acid
CID 82094115

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-[ethyl(formyl)amino]acetic acid?
The IUPAC name of 2-(3-bromophenyl)-2-[ethyl(formyl)amino]acetic acid (CID 63688329) is 2-(3-bromophenyl)-2-[ethyl(formyl)amino]acetic acid.
What is the SMILES notation for 2-(3-bromophenyl)-2-[ethyl(formyl)amino]acetic acid?
The canonical SMILES for 2-(3-bromophenyl)-2-[ethyl(formyl)amino]acetic acid is CCN(C=O)C(C(=O)O)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-2-[ethyl(formyl)amino]acetic acid?
The InChIKey is TZZNMQXSHGSLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3/c1-2-13(7-14)10(11(15)16)8-4-3-5-9(12)6-8/h3-7,10H,2H2,1H3,(H,15,16).
What are the key properties of 2-(3-bromophenyl)-2-[ethyl(formyl)amino]acetic acid?
2-(3-bromophenyl)-2-[ethyl(formyl)amino]acetic acid has a molecular weight of 286.12 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-[ethyl(formyl)amino]acetic acid is sourced from PubChem (CID 63688329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).