2-[[2-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-2-oxoacetyl]amino]acetic acid

C12H11N3O8 — CID 141232327

IUPAC2-[[2-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-2-oxoacetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C(=O)NCC(=O)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H11N3O8/c16-9(17)5-13-11(19)12(20)14-6-10(18)23-8-3-1-7(2-4-8)15(21)22/h1-4H,5-6H2,(H,13,19)(H,14,20)(H,16,17)
InChIKeyMROFDGLTAVHLGO-UHFFFAOYSA-N
MW325.23 g/mol
LogP-1.18
Rot. Bonds6

About 2-[[2-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-2-oxoacetyl]amino]acetic acid

2-[[2-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-2-oxoacetyl]amino]acetic acid (PubChem CID 141232327) has the molecular formula C12H11N3O8 and a molecular weight of 325.23 g/mol. Its IUPAC name is 2-[[2-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-2-oxoacetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-2-oxoacetyl]amino]acetic acid
PubChem CID141232327
Molecular FormulaC12H11N3O8
Molecular Weight325.23 g/mol
Exact Mass325.05
IUPAC Name2-[[2-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-2-oxoacetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C(=O)NCC(=O)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H11N3O8/c16-9(17)5-13-11(19)12(20)14-6-10(18)23-8-3-1-7(2-4-8)15(21)22/h1-4H,5-6H2,(H,13,19)(H,14,20)(H,16,17)
InChIKeyMROFDGLTAVHLGO-UHFFFAOYSA-N
XLogP-1.18
TPSA164.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[[2-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-2-oxoacetyl]amino]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

3-(4-nitrophenoxy)-3-oxopropanoic acid
CID 14314981
bis(4-nitrophenyl) carbonate;propanedioic acid
CID 87576808
CID 174317395
CID 174317395
phenyl 2-[(3,5-dinitrobenzoyl)amino]acetate
CID 19895552
(4-nitrophenyl) N-[[4-[[(4-nitrophenoxy)carbonylamino]methyl]phenyl]methyl]carbamate
CID 57126958
(4-nitrophenyl) 2-cyanoacetate
CID 12861984
3-O-(4-nitrophenyl) 1-O-(4-nitrosophenyl) propanedioate
CID 88551647
(4-nitrophenyl) 2-[[2-[methyl(prop-2-enoyl)amino]acetyl]amino]acetate
CID 66628889
(4-nitrophenyl) pent-4-ynoate
CID 59471197
(4-nitrophenyl) 4-(4-nitrophenoxy)butanoate
CID 14661644
2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;4-nitrophenol
CID 70405485
carbonic acid;(4-nitrophenyl) carbonochloridate
CID 87131285

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-2-oxoacetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-2-oxoacetyl]amino]acetic acid (CID 141232327) is 2-[[2-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-2-oxoacetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-2-oxoacetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-2-oxoacetyl]amino]acetic acid is O=C(O)CNC(=O)C(=O)NCC(=O)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[[2-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-2-oxoacetyl]amino]acetic acid?
The InChIKey is MROFDGLTAVHLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O8/c16-9(17)5-13-11(19)12(20)14-6-10(18)23-8-3-1-7(2-4-8)15(21)22/h1-4H,5-6H2,(H,13,19)(H,14,20)(H,16,17).
What are the key properties of 2-[[2-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-2-oxoacetyl]amino]acetic acid?
2-[[2-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-2-oxoacetyl]amino]acetic acid has a molecular weight of 325.23 g/mol, XLogP of -1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-2-oxoacetyl]amino]acetic acid is sourced from PubChem (CID 141232327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).