2-[[2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid

C10H12N4O5 — CID 83269694

IUPAC2-[[2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid
SMILESCc1cnc(NCC(=O)NCC(=O)O)cc1[N+](=O)[O-]
InChIInChI=1S/C10H12N4O5/c1-6-3-11-8(2-7(6)14(18)19)12-4-9(15)13-5-10(16)17/h2-3H,4-5H2,1H3,(H,11,12)(H,13,15)(H,16,17)
InChIKeyUKRNBKQIRQGONF-UHFFFAOYSA-N
MW268.23 g/mol
LogP-0.09
Rot. Bonds6

About 2-[[2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid

2-[[2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid (PubChem CID 83269694) has the molecular formula C10H12N4O5 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-[[2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid
PubChem CID83269694
Molecular FormulaC10H12N4O5
Molecular Weight268.23 g/mol
Exact Mass268.08
IUPAC Name2-[[2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid
SMILESCc1cnc(NCC(=O)NCC(=O)O)cc1[N+](=O)[O-]
InChIInChI=1S/C10H12N4O5/c1-6-3-11-8(2-7(6)14(18)19)12-4-9(15)13-5-10(16)17/h2-3H,4-5H2,1H3,(H,11,12)(H,13,15)(H,16,17)
InChIKeyUKRNBKQIRQGONF-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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Related Compounds

N-tert-butyl-2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide
CID 83268004
2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide
CID 83267356
N-cyclopropyl-2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide
CID 83269747
N-ethyl-5-methyl-4-nitropyridin-2-amine
CID 15372751
4-methyl-4-[(5-methyl-4-nitro-2-pyridinyl)amino]pentanoic acid
CID 83269896
N-methyl-3-[(5-methyl-4-nitro-2-pyridinyl)amino]propanamide
CID 83268573
N-(2-methoxyethyl)-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetamide
CID 112696061
3-methyl-2-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]butanoic acid
CID 83269700
2-[[2-(4-fluoro-5-methyl-2-nitroanilino)acetyl]amino]acetic acid
CID 103591117
2-[[2-(5-chloro-2-methyl-4-nitroanilino)acetyl]amino]acetic acid
CID 115555372
4-methyl-2-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]pentanoic acid
CID 83269002
4-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol
CID 106842603

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid (CID 83269694) is 2-[[2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid is Cc1cnc(NCC(=O)NCC(=O)O)cc1[N+](=O)[O-].
What is the InChIKey of 2-[[2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid?
The InChIKey is UKRNBKQIRQGONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O5/c1-6-3-11-8(2-7(6)14(18)19)12-4-9(15)13-5-10(16)17/h2-3H,4-5H2,1H3,(H,11,12)(H,13,15)(H,16,17).
What are the key properties of 2-[[2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid?
2-[[2-[(5-methyl-4-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-[(5-methyl-4-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 83269694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).