2-[carboxymethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]acetic acid

C10H14N4O6 — CID 66015955

IUPAC2-[carboxymethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]acetic acid
SMILESCCc1nn(C)c(N(CC(=O)O)CC(=O)O)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O6/c1-3-6-9(14(19)20)10(12(2)11-6)13(4-7(15)16)5-8(17)18/h3-5H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyAGIXBNTZTMKKHS-UHFFFAOYSA-N
MW286.24 g/mol
LogP-0.13
Rot. Bonds7

About 2-[carboxymethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]acetic acid

2-[carboxymethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]acetic acid (PubChem CID 66015955) has the molecular formula C10H14N4O6 and a molecular weight of 286.24 g/mol. Its IUPAC name is 2-[carboxymethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]acetic acid
PubChem CID66015955
Molecular FormulaC10H14N4O6
Molecular Weight286.24 g/mol
Exact Mass286.09
IUPAC Name2-[carboxymethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]acetic acid
SMILESCCc1nn(C)c(N(CC(=O)O)CC(=O)O)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O6/c1-3-6-9(14(19)20)10(12(2)11-6)13(4-7(15)16)5-8(17)18/h3-5H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyAGIXBNTZTMKKHS-UHFFFAOYSA-N
XLogP-0.13
TPSA138.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[carboxymethyl-(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]acetic acid
CID 66014095
2-[ethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol
CID 66013849
3-ethyl-N,N,1-trimethyl-4-nitropyrazol-5-amine
CID 130557668
2-[ethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]-2-methylpropanoic acid
CID 66015352
2-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-methylamino]-2-methylpropanoic acid
CID 66015351
2-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484493
2-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)-propan-2-ylamino]acetic acid
CID 66016278
2-[cyclopropylmethyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]acetic acid
CID 43656323
N'-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79665850
3-ethyl-1,5-dimethyl-4-nitropyrazole
CID 89037224
N-cyclohexyl-3-ethyl-N,1-dimethyl-4-nitropyrazol-5-amine
CID 133423374
2-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657963

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]acetic acid (CID 66015955) is 2-[carboxymethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]acetic acid is CCc1nn(C)c(N(CC(=O)O)CC(=O)O)c1[N+](=O)[O-].
What is the InChIKey of 2-[carboxymethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]acetic acid?
The InChIKey is AGIXBNTZTMKKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O6/c1-3-6-9(14(19)20)10(12(2)11-6)13(4-7(15)16)5-8(17)18/h3-5H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[carboxymethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]acetic acid?
2-[carboxymethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]acetic acid has a molecular weight of 286.24 g/mol, XLogP of -0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]acetic acid is sourced from PubChem (CID 66015955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).