1-amino-3-(2-fluoro-6-nitrophenoxy)cyclopentane-1-carboxylic acid

C12H13FN2O5 — CID 104832318

IUPAC1-amino-3-(2-fluoro-6-nitrophenoxy)cyclopentane-1-carboxylic acid
SMILESNC1(C(=O)O)CCC(Oc2c(F)cccc2[N+](=O)[O-])C1
InChIInChI=1S/C12H13FN2O5/c13-8-2-1-3-9(15(18)19)10(8)20-7-4-5-12(14,6-7)11(16)17/h1-3,7H,4-6,14H2,(H,16,17)
InChIKeyILRAXAWRTFWNDX-UHFFFAOYSA-N
MW284.24 g/mol
LogP1.45
Rot. Bonds4

About 1-amino-3-(2-fluoro-6-nitrophenoxy)cyclopentane-1-carboxylic acid

1-amino-3-(2-fluoro-6-nitrophenoxy)cyclopentane-1-carboxylic acid (PubChem CID 104832318) has the molecular formula C12H13FN2O5 and a molecular weight of 284.24 g/mol. Its IUPAC name is 1-amino-3-(2-fluoro-6-nitrophenoxy)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-(2-fluoro-6-nitrophenoxy)cyclopentane-1-carboxylic acid
PubChem CID104832318
Molecular FormulaC12H13FN2O5
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name1-amino-3-(2-fluoro-6-nitrophenoxy)cyclopentane-1-carboxylic acid
SMILESNC1(C(=O)O)CCC(Oc2c(F)cccc2[N+](=O)[O-])C1
InChIInChI=1S/C12H13FN2O5/c13-8-2-1-3-9(15(18)19)10(8)20-7-4-5-12(14,6-7)11(16)17/h1-3,7H,4-6,14H2,(H,16,17)
InChIKeyILRAXAWRTFWNDX-UHFFFAOYSA-N
XLogP1.45
TPSA115.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 51.45
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 1-amino-3-(2-fluoro-6-nitrophenoxy)cyclopentane-1-carboxylic 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

1-amino-3-(2-methyl-3-nitrophenoxy)cyclopentane-1-carboxylic acid
CID 79648802
1-amino-3-(2-fluoro-4-nitrophenoxy)cyclopentane-1-carboxylic acid
CID 79649266
3-chloro-1-(2-fluoro-6-nitrophenoxy)spiro[3.4]octane
CID 104832520
2-amino-2-cyclopropyl-3-(2-fluoro-6-nitrophenoxy)propanoic acid
CID 104832381
3-bromo-1-(2-fluoro-6-nitrophenoxy)spiro[3.4]octane
CID 104832519
1-amino-3-[2-(hydroxymethyl)phenoxy]cyclopentane-1-carboxylic acid
CID 79648941
3-(2-fluoro-6-nitrophenoxy)-2,2-dimethylcyclobutan-1-ol
CID 104832503
1-(methylamino)-3-(2-methyl-3-nitrophenoxy)cyclopentane-1-carboxylic acid
CID 79646675
2-ethyl-3-(2-fluoro-6-nitrophenoxy)-2-methylcyclobutan-1-ol
CID 104832502
(2-fluoro-6-nitrophenyl) methyl carbonate
CID 67247258
cyclopropanamine;1-fluoro-2-nitrobenzene
CID 157106778
3-(3-fluoro-4-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79646715

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-fluoro-6-nitrophenoxy)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-amino-3-(2-fluoro-6-nitrophenoxy)cyclopentane-1-carboxylic acid (CID 104832318) is 1-amino-3-(2-fluoro-6-nitrophenoxy)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-(2-fluoro-6-nitrophenoxy)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-(2-fluoro-6-nitrophenoxy)cyclopentane-1-carboxylic acid is NC1(C(=O)O)CCC(Oc2c(F)cccc2[N+](=O)[O-])C1.
What is the InChIKey of 1-amino-3-(2-fluoro-6-nitrophenoxy)cyclopentane-1-carboxylic acid?
The InChIKey is ILRAXAWRTFWNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O5/c13-8-2-1-3-9(15(18)19)10(8)20-7-4-5-12(14,6-7)11(16)17/h1-3,7H,4-6,14H2,(H,16,17).
What are the key properties of 1-amino-3-(2-fluoro-6-nitrophenoxy)cyclopentane-1-carboxylic acid?
1-amino-3-(2-fluoro-6-nitrophenoxy)cyclopentane-1-carboxylic acid has a molecular weight of 284.24 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-fluoro-6-nitrophenoxy)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 104832318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).