2-amino-3-[5-(2-nitrophenyl)furan-2-yl]propanoic acid

C13H12N2O5 — CID 170879545

IUPAC2-amino-3-[5-(2-nitrophenyl)furan-2-yl]propanoic acid
SMILESNC(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)O
InChIInChI=1S/C13H12N2O5/c14-10(13(16)17)7-8-5-6-12(20-8)9-3-1-2-4-11(9)15(18)19/h1-6,10H,7,14H2,(H,16,17)
InChIKeyLZYFYGIMRRJMNS-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.81
Rot. Bonds5

About 2-amino-3-[5-(2-nitrophenyl)furan-2-yl]propanoic acid

2-amino-3-[5-(2-nitrophenyl)furan-2-yl]propanoic acid (PubChem CID 170879545) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is 2-amino-3-[5-(2-nitrophenyl)furan-2-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[5-(2-nitrophenyl)furan-2-yl]propanoic acid
PubChem CID170879545
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC Name2-amino-3-[5-(2-nitrophenyl)furan-2-yl]propanoic acid
SMILESNC(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)O
InChIInChI=1S/C13H12N2O5/c14-10(13(16)17)7-8-5-6-12(20-8)9-3-1-2-4-11(9)15(18)19/h1-6,10H,7,14H2,(H,16,17)
InChIKeyLZYFYGIMRRJMNS-UHFFFAOYSA-N
XLogP1.81
TPSA119.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-amino-3-[5-(2-nitrophenyl)furan-2-yl]propanoic 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

[5-(2-nitrophenyl)furan-2-yl]methanamine
CID 82114007
3-[5-(2-nitrophenyl)furan-2-yl]propan-1-amine
CID 170878491
(2R)-2-amino-3-(2-fluoro-3-nitrophenyl)propanoic acid
CID 103852447
4,4-dimethyl-5-[[5-(2-nitrophenyl)furan-2-yl]methylamino]pentan-2-ol
CID 111468026
1-[5-(2-nitrophenyl)furan-2-yl]ethanone
CID 2755858
2-amino-3-(2-fluoro-6-nitrophenyl)propanoic acid
CID 75993446
(2S)-2-amino-3-[2-(2-nitrophenyl)sulfanylphenyl]propanoic acid
CID 91873682
(2S)-2-amino-3-(2-nitrophenyl)sulfanylpropanoic acid
CID 13375100
N-methyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]butan-1-amine
CID 30980271
6-methyl-1-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidine-3-carboxylic acid
CID 122124427
5-[[5-(2-nitrophenyl)furan-2-yl]methylamino]pentanenitrile
CID 119115331
ethyl 2-amino-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]propanoate
CID 170885336

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[5-(2-nitrophenyl)furan-2-yl]propanoic acid?
The IUPAC name of 2-amino-3-[5-(2-nitrophenyl)furan-2-yl]propanoic acid (CID 170879545) is 2-amino-3-[5-(2-nitrophenyl)furan-2-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[5-(2-nitrophenyl)furan-2-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[5-(2-nitrophenyl)furan-2-yl]propanoic acid is NC(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)O.
What is the InChIKey of 2-amino-3-[5-(2-nitrophenyl)furan-2-yl]propanoic acid?
The InChIKey is LZYFYGIMRRJMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5/c14-10(13(16)17)7-8-5-6-12(20-8)9-3-1-2-4-11(9)15(18)19/h1-6,10H,7,14H2,(H,16,17).
What are the key properties of 2-amino-3-[5-(2-nitrophenyl)furan-2-yl]propanoic acid?
2-amino-3-[5-(2-nitrophenyl)furan-2-yl]propanoic acid has a molecular weight of 276.25 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[5-(2-nitrophenyl)furan-2-yl]propanoic acid is sourced from PubChem (CID 170879545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).