2-cyclopropyl-2-[(5-nitro-2-pyridinyl)amino]acetic acid

C10H11N3O4 — CID 62695778

IUPAC2-cyclopropyl-2-[(5-nitro-2-pyridinyl)amino]acetic acid
SMILESO=C(O)C(Nc1ccc([N+](=O)[O-])cn1)C1CC1
InChIInChI=1S/C10H11N3O4/c14-10(15)9(6-1-2-6)12-8-4-3-7(5-11-8)13(16)17/h3-6,9H,1-2H2,(H,11,12)(H,14,15)
InChIKeyRCXXLWPXQBCCOE-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.26
Rot. Bonds5

About 2-cyclopropyl-2-[(5-nitro-2-pyridinyl)amino]acetic acid

2-cyclopropyl-2-[(5-nitro-2-pyridinyl)amino]acetic acid (PubChem CID 62695778) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(5-nitro-2-pyridinyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(5-nitro-2-pyridinyl)amino]acetic acid
PubChem CID62695778
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Name2-cyclopropyl-2-[(5-nitro-2-pyridinyl)amino]acetic acid
SMILESO=C(O)C(Nc1ccc([N+](=O)[O-])cn1)C1CC1
InChIInChI=1S/C10H11N3O4/c14-10(15)9(6-1-2-6)12-8-4-3-7(5-11-8)13(16)17/h3-6,9H,1-2H2,(H,11,12)(H,14,15)
InChIKeyRCXXLWPXQBCCOE-UHFFFAOYSA-N
XLogP1.26
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.26
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'}

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Related Compounds

2-cyclopropyl-2-[(6-nitroquinolin-2-yl)amino]acetic acid
CID 62697311
2-cyclopropyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetic acid
CID 79173611
N-(5-nitro-2-pyridinyl)cyclohexanecarboxamide
CID 2931199
2-[(5-nitro-2-pyridinyl)amino]propanamide
CID 43402589
4-[(5-nitro-2-pyridinyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79216172
1-cyclohexyl-N-(5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115309542
N-(5-nitro-2-pyridinyl)-2,2-diphenylacetamide
CID 2867447
4-methylsulfanyl-2-[(5-nitro-2-pyridinyl)amino]butanoic acid
CID 82022185
5-nitro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine
CID 113243988
5-nitro-N-(1-phenylethyl)pyridin-2-amine
CID 571172
2-cyclopropyl-2-[[2-(4-nitrophenyl)acetyl]amino]acetic acid
CID 62696087
5-nitro-N-pentan-3-ylpyridin-2-amine
CID 43079595

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(5-nitro-2-pyridinyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(5-nitro-2-pyridinyl)amino]acetic acid (CID 62695778) is 2-cyclopropyl-2-[(5-nitro-2-pyridinyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(5-nitro-2-pyridinyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(5-nitro-2-pyridinyl)amino]acetic acid is O=C(O)C(Nc1ccc([N+](=O)[O-])cn1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(5-nitro-2-pyridinyl)amino]acetic acid?
The InChIKey is RCXXLWPXQBCCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c14-10(15)9(6-1-2-6)12-8-4-3-7(5-11-8)13(16)17/h3-6,9H,1-2H2,(H,11,12)(H,14,15).
What are the key properties of 2-cyclopropyl-2-[(5-nitro-2-pyridinyl)amino]acetic acid?
2-cyclopropyl-2-[(5-nitro-2-pyridinyl)amino]acetic acid has a molecular weight of 237.22 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(5-nitro-2-pyridinyl)amino]acetic acid is sourced from PubChem (CID 62695778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).