4-amino-4-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid

C7H10N6O4 — CID 24707497

IUPAC4-amino-4-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid
SMILESNC(=O)CC(NC(=O)Cn1cnnn1)C(=O)O
InChIInChI=1S/C7H10N6O4/c8-5(14)1-4(7(16)17)10-6(15)2-13-3-9-11-12-13/h3-4H,1-2H2,(H2,8,14)(H,10,15)(H,16,17)
InChIKeyBVOCXXNLKIZJAP-UHFFFAOYSA-N
MW242.19 g/mol
LogP-2.88
Rot. Bonds6

About 4-amino-4-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid

4-amino-4-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid (PubChem CID 24707497) has the molecular formula C7H10N6O4 and a molecular weight of 242.19 g/mol. Its IUPAC name is 4-amino-4-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-amino-4-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid
PubChem CID24707497
Molecular FormulaC7H10N6O4
Molecular Weight242.19 g/mol
Exact Mass242.08
IUPAC Name4-amino-4-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid
SMILESNC(=O)CC(NC(=O)Cn1cnnn1)C(=O)O
InChIInChI=1S/C7H10N6O4/c8-5(14)1-4(7(16)17)10-6(15)2-13-3-9-11-12-13/h3-4H,1-2H2,(H2,8,14)(H,10,15)(H,16,17)
InChIKeyBVOCXXNLKIZJAP-UHFFFAOYSA-N
XLogP-2.88
TPSA153.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 5-2.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid?
The IUPAC name of 4-amino-4-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid (CID 24707497) is 4-amino-4-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 4-amino-4-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 4-amino-4-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid is NC(=O)CC(NC(=O)Cn1cnnn1)C(=O)O.
What is the InChIKey of 4-amino-4-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid?
The InChIKey is BVOCXXNLKIZJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O4/c8-5(14)1-4(7(16)17)10-6(15)2-13-3-9-11-12-13/h3-4H,1-2H2,(H2,8,14)(H,10,15)(H,16,17).
What are the key properties of 4-amino-4-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid?
4-amino-4-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid has a molecular weight of 242.19 g/mol, XLogP of -2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 24707497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).