4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid

C9H15N5O3 — CID 24697179

IUPAC4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid
SMILESCC(C)CC(NC(=O)Cn1cnnn1)C(=O)O
InChIInChI=1S/C9H15N5O3/c1-6(2)3-7(9(16)17)11-8(15)4-14-5-10-12-13-14/h5-7H,3-4H2,1-2H3,(H,11,15)(H,16,17)
InChIKeyFERZSRRETZQLFJ-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.71
Rot. Bonds6

About 4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid

4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid (PubChem CID 24697179) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid
PubChem CID24697179
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC Name4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid
SMILESCC(C)CC(NC(=O)Cn1cnnn1)C(=O)O
InChIInChI=1S/C9H15N5O3/c1-6(2)3-7(9(16)17)11-8(15)4-14-5-10-12-13-14/h5-7H,3-4H2,1-2H3,(H,11,15)(H,16,17)
InChIKeyFERZSRRETZQLFJ-UHFFFAOYSA-N
XLogP-0.71
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-hydroxy-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid
CID 24711091
(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid
CID 82813094
methyl (2S)-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate
CID 56817529
N-ethyl-2-(tetrazol-1-yl)acetamide
CID 130679342
(2S)-2-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 119361792
2-methyl-3-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
CID 119218600
(2R)-4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid
CID 78986511
(2S)-4-methyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
CID 119361740
(2S)-4-methyl-2-[[2-(propylamino)acetyl]amino]pentanoic acid
CID 78976964
N-[(1S)-1-naphthalen-2-ylethyl]-2-(tetrazol-1-yl)acetamide
CID 51513287
N-[2-(methylamino)propyl]-2-(tetrazol-1-yl)acetamide
CID 103512678
2-methoxy-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
CID 106107321

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid (CID 24697179) is 4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid is CC(C)CC(NC(=O)Cn1cnnn1)C(=O)O.
What is the InChIKey of 4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid?
The InChIKey is FERZSRRETZQLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3/c1-6(2)3-7(9(16)17)11-8(15)4-14-5-10-12-13-14/h5-7H,3-4H2,1-2H3,(H,11,15)(H,16,17).
What are the key properties of 4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid?
4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid has a molecular weight of 241.25 g/mol, XLogP of -0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 24697179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).