2-[(3-carbamoyl-5-nitro-2-pyridinyl)-propylamino]acetic acid

C11H14N4O5 — CID 62097695

IUPAC2-[(3-carbamoyl-5-nitro-2-pyridinyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1ncc([N+](=O)[O-])cc1C(N)=O
InChIInChI=1S/C11H14N4O5/c1-2-3-14(6-9(16)17)11-8(10(12)18)4-7(5-13-11)15(19)20/h4-5H,2-3,6H2,1H3,(H2,12,18)(H,16,17)
InChIKeyHLOKZPANYVFECA-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.39
Rot. Bonds7

About 2-[(3-carbamoyl-5-nitro-2-pyridinyl)-propylamino]acetic acid

2-[(3-carbamoyl-5-nitro-2-pyridinyl)-propylamino]acetic acid (PubChem CID 62097695) has the molecular formula C11H14N4O5 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-[(3-carbamoyl-5-nitro-2-pyridinyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-carbamoyl-5-nitro-2-pyridinyl)-propylamino]acetic acid
PubChem CID62097695
Molecular FormulaC11H14N4O5
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name2-[(3-carbamoyl-5-nitro-2-pyridinyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1ncc([N+](=O)[O-])cc1C(N)=O
InChIInChI=1S/C11H14N4O5/c1-2-3-14(6-9(16)17)11-8(10(12)18)4-7(5-13-11)15(19)20/h4-5H,2-3,6H2,1H3,(H2,12,18)(H,16,17)
InChIKeyHLOKZPANYVFECA-UHFFFAOYSA-N
XLogP0.39
TPSA139.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.39
H-Bond Donors ≤ 52
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

2-[(3-carbamoyl-5-nitro-2-pyridinyl)-(2-methylpropyl)amino]acetic acid
CID 63064308
3-[(3-carbamoyl-5-nitro-2-pyridinyl)-ethylamino]propanoic acid
CID 62097858
2-[ethyl(2-methylprop-2-enyl)amino]-5-nitropyridine-3-carboxylic acid
CID 114046662
2-[(3-methyl-5-nitro-2-pyridinyl)-prop-2-ynylamino]acetic acid
CID 79275185
2-amino-N-ethyl-5-nitro-N-propylpyridine-3-carboxamide
CID 104585991
2-[cyclopropylmethyl(ethyl)amino]-5-nitropyridine-3-carboxylic acid
CID 114046781
N'-hydroxy-2-[methyl(pentyl)amino]-5-nitropyridine-3-carboximidamide
CID 76935186
2-[(5-nitro-1H-pyrazol-4-yl)-propylamino]acetic acid
CID 114988497
ethyl 2-[(3-bromo-5-nitro-2-pyridinyl)-ethylamino]acetate
CID 79523362
2-[(3-carbamoyl-5-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 79799261
2-[[(3-carbamoyl-5-nitro-2-pyridinyl)amino]methyl]butanoic acid
CID 65226388
5-nitro-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide
CID 55100789

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamoyl-5-nitro-2-pyridinyl)-propylamino]acetic acid?
The IUPAC name of 2-[(3-carbamoyl-5-nitro-2-pyridinyl)-propylamino]acetic acid (CID 62097695) is 2-[(3-carbamoyl-5-nitro-2-pyridinyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(3-carbamoyl-5-nitro-2-pyridinyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(3-carbamoyl-5-nitro-2-pyridinyl)-propylamino]acetic acid is CCCN(CC(=O)O)c1ncc([N+](=O)[O-])cc1C(N)=O.
What is the InChIKey of 2-[(3-carbamoyl-5-nitro-2-pyridinyl)-propylamino]acetic acid?
The InChIKey is HLOKZPANYVFECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O5/c1-2-3-14(6-9(16)17)11-8(10(12)18)4-7(5-13-11)15(19)20/h4-5H,2-3,6H2,1H3,(H2,12,18)(H,16,17).
What are the key properties of 2-[(3-carbamoyl-5-nitro-2-pyridinyl)-propylamino]acetic acid?
2-[(3-carbamoyl-5-nitro-2-pyridinyl)-propylamino]acetic acid has a molecular weight of 282.26 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamoyl-5-nitro-2-pyridinyl)-propylamino]acetic acid is sourced from PubChem (CID 62097695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).