ethyl 2-[cyclopropyl-(3-nitro-2-pyridinyl)amino]acetate

C12H15N3O4 — CID 62006677

IUPACethyl 2-[cyclopropyl-(3-nitro-2-pyridinyl)amino]acetate
SMILESCCOC(=O)CN(c1ncccc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C12H15N3O4/c1-2-19-11(16)8-14(9-5-6-9)12-10(15(17)18)4-3-7-13-12/h3-4,7,9H,2,5-6,8H2,1H3
InChIKeyFOBBOJGSOVFCQB-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.52
Rot. Bonds6

About ethyl 2-[cyclopropyl-(3-nitro-2-pyridinyl)amino]acetate

ethyl 2-[cyclopropyl-(3-nitro-2-pyridinyl)amino]acetate (PubChem CID 62006677) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-(3-nitro-2-pyridinyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-(3-nitro-2-pyridinyl)amino]acetate
PubChem CID62006677
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Nameethyl 2-[cyclopropyl-(3-nitro-2-pyridinyl)amino]acetate
SMILESCCOC(=O)CN(c1ncccc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C12H15N3O4/c1-2-19-11(16)8-14(9-5-6-9)12-10(15(17)18)4-3-7-13-12/h3-4,7,9H,2,5-6,8H2,1H3
InChIKeyFOBBOJGSOVFCQB-UHFFFAOYSA-N
XLogP1.52
TPSA85.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(N-cyclopropyl-4-methoxy-2-nitroanilino)acetate
CID 62004608
ethyl 2-[cyclopropyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]acetate
CID 104733396
2-[cyclopentyl-(3-nitro-2-pyridinyl)amino]ethanol
CID 54998817
ethyl 2-(N-cyclopropyl-3-fluoro-2-nitroanilino)acetate
CID 62007053
ethyl 2-[(5-bromoisoquinolin-1-yl)-cyclopropylamino]acetate
CID 106541932
3-[cyclopropyl-(3-nitro-2-pyridinyl)amino]propanenitrile
CID 54997173
ethyl 2-[cyclopropyl-(2-oxo-1H-pyrazin-3-yl)amino]acetate
CID 114571207
diethyl 2-(3-nitro-2-pyridinyl)propanedioate
CID 13147345
ethyl 2-(N-cyclopropyl-4-fluoro-5-methyl-2-nitroanilino)acetate
CID 103594331
diethyl 2-[methyl-(3-nitro-2-pyridinyl)hydrazinylidene]propanedioate
CID 10639679
N-ethyl-N-(3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61232521
4-N-methyl-4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine
CID 79115640

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-(3-nitro-2-pyridinyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-(3-nitro-2-pyridinyl)amino]acetate (CID 62006677) is ethyl 2-[cyclopropyl-(3-nitro-2-pyridinyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-(3-nitro-2-pyridinyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-(3-nitro-2-pyridinyl)amino]acetate is CCOC(=O)CN(c1ncccc1[N+](=O)[O-])C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-(3-nitro-2-pyridinyl)amino]acetate?
The InChIKey is FOBBOJGSOVFCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-2-19-11(16)8-14(9-5-6-9)12-10(15(17)18)4-3-7-13-12/h3-4,7,9H,2,5-6,8H2,1H3.
What are the key properties of ethyl 2-[cyclopropyl-(3-nitro-2-pyridinyl)amino]acetate?
ethyl 2-[cyclopropyl-(3-nitro-2-pyridinyl)amino]acetate has a molecular weight of 265.27 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-(3-nitro-2-pyridinyl)amino]acetate is sourced from PubChem (CID 62006677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).