2-methyl-5-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]furan-3-carboxylic acid

C10H11N5O4 — CID 119226184

IUPAC2-methyl-5-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)Cn2cnnn2)cc1C(=O)O
InChIInChI=1S/C10H11N5O4/c1-6-8(10(17)18)2-7(19-6)3-11-9(16)4-15-5-12-13-14-15/h2,5H,3-4H2,1H3,(H,11,16)(H,17,18)
InChIKeyDJZOVNDPLSSVBL-UHFFFAOYSA-N
MW265.23 g/mol
LogP-0.41
Rot. Bonds5

About 2-methyl-5-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]furan-3-carboxylic acid (PubChem CID 119226184) has the molecular formula C10H11N5O4 and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-methyl-5-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]furan-3-carboxylic acid
PubChem CID119226184
Molecular FormulaC10H11N5O4
Molecular Weight265.23 g/mol
Exact Mass265.08
IUPAC Name2-methyl-5-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)Cn2cnnn2)cc1C(=O)O
InChIInChI=1S/C10H11N5O4/c1-6-8(10(17)18)2-7(19-6)3-11-9(16)4-15-5-12-13-14-15/h2,5H,3-4H2,1H3,(H,11,16)(H,17,18)
InChIKeyDJZOVNDPLSSVBL-UHFFFAOYSA-N
XLogP-0.41
TPSA123.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-5-[(4-methylpentanoylamino)methyl]furan-3-carboxylic acid
CID 54907438
2-methyl-5-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylic acid
CID 119226411
5-[[(2-butoxyacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226536
2-methyl-5-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]furan-3-carboxylic acid
CID 78980675
5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 54907246
5-[[[2-(2,6-dimethylphenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 120687190
5-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61023784
2-methyl-5-[(prop-2-enoylamino)methyl]furan-3-carboxylic acid
CID 61025083
5-[(4-methoxypentanoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 113382102
2-methyl-5-[[[2-(2,2,2-trifluoroethoxy)acetyl]amino]methyl]furan-3-carboxylic acid
CID 103628815
2-methyl-5-[(3,5,5-trimethylhexanoylamino)methyl]furan-3-carboxylic acid
CID 61023413
2-methyl-5-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]furan-3-carboxylic acid
CID 103248628

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]furan-3-carboxylic acid (CID 119226184) is 2-methyl-5-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]furan-3-carboxylic acid is Cc1oc(CNC(=O)Cn2cnnn2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]furan-3-carboxylic acid?
The InChIKey is DJZOVNDPLSSVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O4/c1-6-8(10(17)18)2-7(19-6)3-11-9(16)4-15-5-12-13-14-15/h2,5H,3-4H2,1H3,(H,11,16)(H,17,18).
What are the key properties of 2-methyl-5-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]furan-3-carboxylic acid has a molecular weight of 265.23 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 119226184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).