5-amino-5-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid

C8H12N6O4 — CID 24700621

IUPAC5-amino-5-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid
SMILESNC(=O)CCC(NC(=O)Cn1cnnn1)C(=O)O
InChIInChI=1S/C8H12N6O4/c9-6(15)2-1-5(8(17)18)11-7(16)3-14-4-10-12-13-14/h4-5H,1-3H2,(H2,9,15)(H,11,16)(H,17,18)
InChIKeyNQLFDHDRVANMKB-UHFFFAOYSA-N
MW256.22 g/mol
LogP-2.49
Rot. Bonds7

About 5-amino-5-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid

5-amino-5-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid (PubChem CID 24700621) has the molecular formula C8H12N6O4 and a molecular weight of 256.22 g/mol. Its IUPAC name is 5-amino-5-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-amino-5-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid
PubChem CID24700621
Molecular FormulaC8H12N6O4
Molecular Weight256.22 g/mol
Exact Mass256.09
IUPAC Name5-amino-5-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid
SMILESNC(=O)CCC(NC(=O)Cn1cnnn1)C(=O)O
InChIInChI=1S/C8H12N6O4/c9-6(15)2-1-5(8(17)18)11-7(16)3-14-4-10-12-13-14/h4-5H,1-3H2,(H2,9,15)(H,11,16)(H,17,18)
InChIKeyNQLFDHDRVANMKB-UHFFFAOYSA-N
XLogP-2.49
TPSA153.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 5-2.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-5-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid?
The IUPAC name of 5-amino-5-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid (CID 24700621) is 5-amino-5-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 5-amino-5-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for 5-amino-5-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid is NC(=O)CCC(NC(=O)Cn1cnnn1)C(=O)O.
What is the InChIKey of 5-amino-5-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid?
The InChIKey is NQLFDHDRVANMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O4/c9-6(15)2-1-5(8(17)18)11-7(16)3-14-4-10-12-13-14/h4-5H,1-3H2,(H2,9,15)(H,11,16)(H,17,18).
What are the key properties of 5-amino-5-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid?
5-amino-5-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid has a molecular weight of 256.22 g/mol, XLogP of -2.49, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 24700621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).