2-[[2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid

C10H12N4O5 — CID 81131544

IUPAC2-[[2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid
SMILESCc1ccc([N+](=O)[O-])c(NCC(=O)NCC(=O)O)n1
InChIInChI=1S/C10H12N4O5/c1-6-2-3-7(14(18)19)10(13-6)12-4-8(15)11-5-9(16)17/h2-3H,4-5H2,1H3,(H,11,15)(H,12,13)(H,16,17)
InChIKeyBKSVKVAUODXRJB-UHFFFAOYSA-N
MW268.23 g/mol
LogP-0.09
Rot. Bonds6

About 2-[[2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid

2-[[2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid (PubChem CID 81131544) has the molecular formula C10H12N4O5 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-[[2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid
PubChem CID81131544
Molecular FormulaC10H12N4O5
Molecular Weight268.23 g/mol
Exact Mass268.08
IUPAC Name2-[[2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid
SMILESCc1ccc([N+](=O)[O-])c(NCC(=O)NCC(=O)O)n1
InChIInChI=1S/C10H12N4O5/c1-6-2-3-7(14(18)19)10(13-6)12-4-8(15)11-5-9(16)17/h2-3H,4-5H2,1H3,(H,11,15)(H,12,13)(H,16,17)
InChIKeyBKSVKVAUODXRJB-UHFFFAOYSA-N
XLogP-0.09
TPSA134.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid (CID 81131544) is 2-[[2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid is Cc1ccc([N+](=O)[O-])c(NCC(=O)NCC(=O)O)n1.
What is the InChIKey of 2-[[2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid?
The InChIKey is BKSVKVAUODXRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O5/c1-6-2-3-7(14(18)19)10(13-6)12-4-8(15)11-5-9(16)17/h2-3H,4-5H2,1H3,(H,11,15)(H,12,13)(H,16,17).
What are the key properties of 2-[[2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid?
2-[[2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid has a molecular weight of 268.23 g/mol, XLogP of -0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 81131544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).