2-amino-2-(7-bromo-1-benzofuran-2-yl)acetic acid

C10H8BrNO3 — CID 82625533

IUPAC2-amino-2-(7-bromo-1-benzofuran-2-yl)acetic acid
SMILESNC(C(=O)O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C10H8BrNO3/c11-6-3-1-2-5-4-7(15-9(5)6)8(12)10(13)14/h1-4,8H,12H2,(H,13,14)
InChIKeyBUTFMVNRFZMVAG-UHFFFAOYSA-N
MW270.08 g/mol
LogP2.28
Rot. Bonds2

About 2-amino-2-(7-bromo-1-benzofuran-2-yl)acetic acid

2-amino-2-(7-bromo-1-benzofuran-2-yl)acetic acid (PubChem CID 82625533) has the molecular formula C10H8BrNO3 and a molecular weight of 270.08 g/mol. Its IUPAC name is 2-amino-2-(7-bromo-1-benzofuran-2-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(7-bromo-1-benzofuran-2-yl)acetic acid
PubChem CID82625533
Molecular FormulaC10H8BrNO3
Molecular Weight270.08 g/mol
Exact Mass268.97
IUPAC Name2-amino-2-(7-bromo-1-benzofuran-2-yl)acetic acid
SMILESNC(C(=O)O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C10H8BrNO3/c11-6-3-1-2-5-4-7(15-9(5)6)8(12)10(13)14/h1-4,8H,12H2,(H,13,14)
InChIKeyBUTFMVNRFZMVAG-UHFFFAOYSA-N
XLogP2.28
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.08
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-(7-bromo-1-benzofuran-2-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7-bromo-1-benzofuran-2-yl)-phenylmethanamine
CID 61391264
7-bromo-1-benzofuran-2-carboxamide
CID 47331810
1-(7-bromo-1-benzofuran-2-yl)-3-phenylpropan-1-amine
CID 105094359
1-(7-bromo-1-benzofuran-2-yl)-2-methoxyethanamine
CID 105165713
1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65438582
1-(7-bromo-1-benzofuran-2-yl)prop-2-en-1-ol
CID 105108452
(7-bromo-1-benzofuran-2-yl)-(4-bromo-2-chlorophenyl)methanamine
CID 82779597
(2S)-2-[(7-bromo-1-benzofuran-2-carbonyl)amino]-3-methylbutanoic acid
CID 61389773
[1-(7-bromo-1-benzofuran-2-yl)-3-methylbut-2-enyl]hydrazine
CID 105319774
(7-bromo-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105146562
(7-bromo-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanamine
CID 63549150
[1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropyl]hydrazine
CID 105305275

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(7-bromo-1-benzofuran-2-yl)acetic acid?
The IUPAC name of 2-amino-2-(7-bromo-1-benzofuran-2-yl)acetic acid (CID 82625533) is 2-amino-2-(7-bromo-1-benzofuran-2-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(7-bromo-1-benzofuran-2-yl)acetic acid?
The canonical SMILES for 2-amino-2-(7-bromo-1-benzofuran-2-yl)acetic acid is NC(C(=O)O)c1cc2cccc(Br)c2o1.
What is the InChIKey of 2-amino-2-(7-bromo-1-benzofuran-2-yl)acetic acid?
The InChIKey is BUTFMVNRFZMVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO3/c11-6-3-1-2-5-4-7(15-9(5)6)8(12)10(13)14/h1-4,8H,12H2,(H,13,14).
What are the key properties of 2-amino-2-(7-bromo-1-benzofuran-2-yl)acetic acid?
2-amino-2-(7-bromo-1-benzofuran-2-yl)acetic acid has a molecular weight of 270.08 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(7-bromo-1-benzofuran-2-yl)acetic acid is sourced from PubChem (CID 82625533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).