4-amino-5-(5-bromofuran-2-yl)pentanoic acid

C9H12BrNO3 — CID 62961515

IUPAC4-amino-5-(5-bromofuran-2-yl)pentanoic acid
SMILESNC(CCC(=O)O)Cc1ccc(Br)o1
InChIInChI=1S/C9H12BrNO3/c10-8-3-2-7(14-8)5-6(11)1-4-9(12)13/h2-3,6H,1,4-5,11H2,(H,12,13)
InChIKeyMYVLTJMLOTWMIQ-UHFFFAOYSA-N
MW262.10 g/mol
LogP1.78
Rot. Bonds5

About 4-amino-5-(5-bromofuran-2-yl)pentanoic acid

4-amino-5-(5-bromofuran-2-yl)pentanoic acid (PubChem CID 62961515) has the molecular formula C9H12BrNO3 and a molecular weight of 262.10 g/mol. Its IUPAC name is 4-amino-5-(5-bromofuran-2-yl)pentanoic acid.

Molecular Properties

Compound Name4-amino-5-(5-bromofuran-2-yl)pentanoic acid
PubChem CID62961515
Molecular FormulaC9H12BrNO3
Molecular Weight262.10 g/mol
Exact Mass261.00
IUPAC Name4-amino-5-(5-bromofuran-2-yl)pentanoic acid
SMILESNC(CCC(=O)O)Cc1ccc(Br)o1
InChIInChI=1S/C9H12BrNO3/c10-8-3-2-7(14-8)5-6(11)1-4-9(12)13/h2-3,6H,1,4-5,11H2,(H,12,13)
InChIKeyMYVLTJMLOTWMIQ-UHFFFAOYSA-N
XLogP1.78
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.10
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-5-(5-bromofuran-2-yl)pentanoic 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

(4R)-4-amino-5-(4-aminophenyl)pentanoic acid
CID 66644557
(4R)-4-amino-5-pyridin-4-ylpentanoic acid
CID 66644679
(4S)-4-amino-5-naphthalen-1-ylpentanoic acid
CID 66644807
3-amino-3-(5-bromofuran-2-yl)propanoic acid
CID 24706376
2-[[5-(carboxymethyl)furan-2-yl]methyl]pentanedioic acid
CID 118899808
4-amino-5-[2-(trifluoromethyl)phenyl]pentanoic acid
CID 62962954
4-amino-5-(4-tert-butylphenyl)pentanoic acid
CID 62961688
4-amino-5-[4-(dimethylamino)phenyl]pentanoic acid
CID 55154057
(4R)-4-amino-5-(3-aminophenyl)pentanoic acid
CID 66644797
2-(5-bromofuran-2-yl)-1-(1-methylcyclopropyl)ethanamine
CID 131020719
4-amino-5-(1H-indol-3-yl)pentanoic acid
CID 53414125
(4R)-4-amino-5-[4-(diaminomethylideneamino)phenyl]pentanoic acid
CID 66644748

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(5-bromofuran-2-yl)pentanoic acid?
The IUPAC name of 4-amino-5-(5-bromofuran-2-yl)pentanoic acid (CID 62961515) is 4-amino-5-(5-bromofuran-2-yl)pentanoic acid.
What is the SMILES notation for 4-amino-5-(5-bromofuran-2-yl)pentanoic acid?
The canonical SMILES for 4-amino-5-(5-bromofuran-2-yl)pentanoic acid is NC(CCC(=O)O)Cc1ccc(Br)o1.
What is the InChIKey of 4-amino-5-(5-bromofuran-2-yl)pentanoic acid?
The InChIKey is MYVLTJMLOTWMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO3/c10-8-3-2-7(14-8)5-6(11)1-4-9(12)13/h2-3,6H,1,4-5,11H2,(H,12,13).
What are the key properties of 4-amino-5-(5-bromofuran-2-yl)pentanoic acid?
4-amino-5-(5-bromofuran-2-yl)pentanoic acid has a molecular weight of 262.10 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(5-bromofuran-2-yl)pentanoic acid is sourced from PubChem (CID 62961515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).