2-[(5-nitro-2-pyridinyl)-prop-2-enylamino]acetic acid

C10H11N3O4 — CID 79265032

IUPAC2-[(5-nitro-2-pyridinyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C10H11N3O4/c1-2-5-12(7-10(14)15)9-4-3-8(6-11-9)13(16)17/h2-4,6H,1,5,7H2,(H,14,15)
InChIKeyLCTFEENPBCNTHD-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.07
Rot. Bonds6

About 2-[(5-nitro-2-pyridinyl)-prop-2-enylamino]acetic acid

2-[(5-nitro-2-pyridinyl)-prop-2-enylamino]acetic acid (PubChem CID 79265032) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-[(5-nitro-2-pyridinyl)-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-nitro-2-pyridinyl)-prop-2-enylamino]acetic acid
PubChem CID79265032
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Name2-[(5-nitro-2-pyridinyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C10H11N3O4/c1-2-5-12(7-10(14)15)9-4-3-8(6-11-9)13(16)17/h2-4,6H,1,5,7H2,(H,14,15)
InChIKeyLCTFEENPBCNTHD-UHFFFAOYSA-N
XLogP1.07
TPSA96.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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

2-methyl-3-[(5-nitro-2-pyridinyl)-prop-2-enylamino]propanoic acid
CID 82309780
5-nitro-N-[(4-phenylphenyl)methyl]-N-prop-2-enylpyridin-2-amine
CID 67719635
3-[ethyl-(5-nitro-2-pyridinyl)amino]propanoic acid
CID 61009888
3-[(5-nitro-2-pyridinyl)-prop-2-ynylamino]propanoic acid
CID 82310520
3-[butyl-(5-nitro-2-pyridinyl)amino]propanoic acid
CID 82309877
3-[3-methylbutyl-(5-nitro-2-pyridinyl)amino]propanoic acid
CID 82310195
2-[N-(carboxymethyl)-4-nitroanilino]acetic acid
CID 21205647
(E)-3-[6-[bis(prop-2-enyl)amino]-3-pyridinyl]prop-2-enoic acid
CID 80633168
3-[cyanomethyl-(5-nitro-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82309964
2-[ethyl-(5-nitro-2-pyridinyl)amino]-2-methylpropanoic acid
CID 55124080
2-(3-nitro-5-propan-2-yloxy-N-prop-2-enylanilino)acetic acid
CID 80743177
2-(4-carbamoyl-2-nitro-N-prop-2-enylanilino)acetic acid
CID 79264114

Frequently Asked Questions

What is the IUPAC name of 2-[(5-nitro-2-pyridinyl)-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[(5-nitro-2-pyridinyl)-prop-2-enylamino]acetic acid (CID 79265032) is 2-[(5-nitro-2-pyridinyl)-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[(5-nitro-2-pyridinyl)-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[(5-nitro-2-pyridinyl)-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 2-[(5-nitro-2-pyridinyl)-prop-2-enylamino]acetic acid?
The InChIKey is LCTFEENPBCNTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-2-5-12(7-10(14)15)9-4-3-8(6-11-9)13(16)17/h2-4,6H,1,5,7H2,(H,14,15).
What are the key properties of 2-[(5-nitro-2-pyridinyl)-prop-2-enylamino]acetic acid?
2-[(5-nitro-2-pyridinyl)-prop-2-enylamino]acetic acid has a molecular weight of 237.22 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-nitro-2-pyridinyl)-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79265032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).