3-[ethyl-(5-nitro-2-pyridinyl)amino]propanoic acid

C10H13N3O4 — CID 61009888

IUPAC3-[ethyl-(5-nitro-2-pyridinyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C10H13N3O4/c1-2-12(6-5-10(14)15)9-4-3-8(7-11-9)13(16)17/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyCIAQIDICZYIBGH-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.29
Rot. Bonds6

About 3-[ethyl-(5-nitro-2-pyridinyl)amino]propanoic acid

3-[ethyl-(5-nitro-2-pyridinyl)amino]propanoic acid (PubChem CID 61009888) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-[ethyl-(5-nitro-2-pyridinyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-(5-nitro-2-pyridinyl)amino]propanoic acid
PubChem CID61009888
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name3-[ethyl-(5-nitro-2-pyridinyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C10H13N3O4/c1-2-12(6-5-10(14)15)9-4-3-8(7-11-9)13(16)17/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyCIAQIDICZYIBGH-UHFFFAOYSA-N
XLogP1.29
TPSA96.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
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

3-[butyl-(5-nitro-2-pyridinyl)amino]propanoic acid
CID 82309877
3-[3-methylbutyl-(5-nitro-2-pyridinyl)amino]propanoic acid
CID 82310195
3-[(5-nitro-2-pyridinyl)-prop-2-ynylamino]propanoic acid
CID 82310520
3-[(3-carbamoyl-5-nitro-2-pyridinyl)-ethylamino]propanoic acid
CID 62097858
2-[ethyl-(5-nitro-2-pyridinyl)amino]-2-methylpropanoic acid
CID 55124080
2-[(5-nitro-2-pyridinyl)-prop-2-enylamino]acetic acid
CID 79265032
N-(3,3-dimethylbutyl)-5-nitro-N-propylpyridin-2-amine
CID 20870569
3-[cyanomethyl-(5-nitro-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82309964
3-(N-ethyl-2-nitroanilino)propanoic acid
CID 61010889
3-[(5-bromo-3-nitro-2-pyridinyl)-ethylamino]propanoic acid
CID 61228645
3-[ethyl(pyrazin-2-yl)amino]propanoic acid
CID 61010461
3-[N-(2-carboxyethyl)-2-methyl-5-nitroanilino]propanoic acid
CID 82319419

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(5-nitro-2-pyridinyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl-(5-nitro-2-pyridinyl)amino]propanoic acid (CID 61009888) is 3-[ethyl-(5-nitro-2-pyridinyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-(5-nitro-2-pyridinyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl-(5-nitro-2-pyridinyl)amino]propanoic acid is CCN(CCC(=O)O)c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 3-[ethyl-(5-nitro-2-pyridinyl)amino]propanoic acid?
The InChIKey is CIAQIDICZYIBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-2-12(6-5-10(14)15)9-4-3-8(7-11-9)13(16)17/h3-4,7H,2,5-6H2,1H3,(H,14,15).
What are the key properties of 3-[ethyl-(5-nitro-2-pyridinyl)amino]propanoic acid?
3-[ethyl-(5-nitro-2-pyridinyl)amino]propanoic acid has a molecular weight of 239.23 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(5-nitro-2-pyridinyl)amino]propanoic acid is sourced from PubChem (CID 61009888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).