2-amino-5-(2-amino-5-nitrophenyl)-5-oxopentanoic acid

C11H13N3O5 — CID 66694556

IUPAC2-amino-5-(2-amino-5-nitrophenyl)-5-oxopentanoic acid
SMILESNc1ccc([N+](=O)[O-])cc1C(=O)CCC(N)C(=O)O
InChIInChI=1S/C11H13N3O5/c12-8-2-1-6(14(18)19)5-7(8)10(15)4-3-9(13)11(16)17/h1-2,5,9H,3-4,12-13H2,(H,16,17)
InChIKeyHIFUNOPIWYQHCO-UHFFFAOYSA-N
MW267.24 g/mol
LogP0.55
Rot. Bonds6

About 2-amino-5-(2-amino-5-nitrophenyl)-5-oxopentanoic acid

2-amino-5-(2-amino-5-nitrophenyl)-5-oxopentanoic acid (PubChem CID 66694556) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-amino-5-(2-amino-5-nitrophenyl)-5-oxopentanoic acid.

Molecular Properties

Compound Name2-amino-5-(2-amino-5-nitrophenyl)-5-oxopentanoic acid
PubChem CID66694556
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name2-amino-5-(2-amino-5-nitrophenyl)-5-oxopentanoic acid
SMILESNc1ccc([N+](=O)[O-])cc1C(=O)CCC(N)C(=O)O
InChIInChI=1S/C11H13N3O5/c12-8-2-1-6(14(18)19)5-7(8)10(15)4-3-9(13)11(16)17/h1-2,5,9H,3-4,12-13H2,(H,16,17)
InChIKeyHIFUNOPIWYQHCO-UHFFFAOYSA-N
XLogP0.55
TPSA149.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-5-(4-nitrophenoxy)-5-oxopentanoic acid
CID 71443717
potassium 2-amino-5-nitrobenzoate
CID 171152190
(2S)-2-amino-5-(5-nitro-2,3-dihydroindol-1-yl)-5-oxopentanoic acid
CID 155928165
2-amino-4-(2-methyl-5-nitrophenoxy)butanoic acid
CID 63039221
(2S)-2-amino-3-(2-iodo-4-nitrophenyl)propanoic acid
CID 54574280
2-amino-N-(4-methoxybutan-2-yl)-5-nitrobenzamide
CID 64605955
2-amino-5-nitro-N-[(3R)-1,1,1-trifluoropentan-3-yl]benzamide
CID 129358451
pentan-3-yl 2-amino-5-nitrobenzoate
CID 91727772
(2S)-2,5-diamino-5-oxopentanoic acid;tris(nitric acid)
CID 86628847
2-[[(1R)-4-amino-1-carboxy-4-oxobutyl]carbamoyl]-5-nitrobenzoic acid
CID 151470981
2-amino-4-[methyl-(4-nitrophenyl)phosphoryl]butanoic acid
CID 141175443
2-amino-4-(2,6-dibromo-4-nitrophenoxy)butanoic acid
CID 63033176

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-amino-5-nitrophenyl)-5-oxopentanoic acid?
The IUPAC name of 2-amino-5-(2-amino-5-nitrophenyl)-5-oxopentanoic acid (CID 66694556) is 2-amino-5-(2-amino-5-nitrophenyl)-5-oxopentanoic acid.
What is the SMILES notation for 2-amino-5-(2-amino-5-nitrophenyl)-5-oxopentanoic acid?
The canonical SMILES for 2-amino-5-(2-amino-5-nitrophenyl)-5-oxopentanoic acid is Nc1ccc([N+](=O)[O-])cc1C(=O)CCC(N)C(=O)O.
What is the InChIKey of 2-amino-5-(2-amino-5-nitrophenyl)-5-oxopentanoic acid?
The InChIKey is HIFUNOPIWYQHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c12-8-2-1-6(14(18)19)5-7(8)10(15)4-3-9(13)11(16)17/h1-2,5,9H,3-4,12-13H2,(H,16,17).
What are the key properties of 2-amino-5-(2-amino-5-nitrophenyl)-5-oxopentanoic acid?
2-amino-5-(2-amino-5-nitrophenyl)-5-oxopentanoic acid has a molecular weight of 267.24 g/mol, XLogP of 0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-amino-5-nitrophenyl)-5-oxopentanoic acid is sourced from PubChem (CID 66694556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).