3-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid

C9H15N5O3 — CID 81065301

IUPAC3-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)Cn1cnnn1)CC(=O)O
InChIInChI=1S/C9H15N5O3/c1-2-7(3-9(16)17)4-10-8(15)5-14-6-11-12-13-14/h6-7H,2-5H2,1H3,(H,10,15)(H,16,17)
InChIKeyHWDGWQDQIMAQNP-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.71
Rot. Bonds7

About 3-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid

3-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid (PubChem CID 81065301) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid
PubChem CID81065301
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC Name3-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)Cn1cnnn1)CC(=O)O
InChIInChI=1S/C9H15N5O3/c1-2-7(3-9(16)17)4-10-8(15)5-14-6-11-12-13-14/h6-7H,2-5H2,1H3,(H,10,15)(H,16,17)
InChIKeyHWDGWQDQIMAQNP-UHFFFAOYSA-N
XLogP-0.71
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
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

N-[2-(methylamino)propyl]-2-(tetrazol-1-yl)acetamide
CID 103512678
N-ethyl-2-(tetrazol-1-yl)acetamide
CID 130679342
2-methoxy-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
CID 106107321
4,4-dimethyl-2-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid
CID 107473948
2-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
CID 62883661
3-[[(2-aminoacetyl)amino]methyl]pentanoic acid
CID 81072834
4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid
CID 24697179
3-hydroxy-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid
CID 24711091
7-[[2-(tetrazol-1-yl)acetyl]amino]heptanoic acid
CID 24702857
methyl (2S)-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate
CID 56817529
3-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid
CID 81080106
3-[[(2-acetamidoacetyl)amino]methyl]pentanoic acid
CID 81065753

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid?
The IUPAC name of 3-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid (CID 81065301) is 3-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid is CCC(CNC(=O)Cn1cnnn1)CC(=O)O.
What is the InChIKey of 3-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid?
The InChIKey is HWDGWQDQIMAQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3/c1-2-7(3-9(16)17)4-10-8(15)5-14-6-11-12-13-14/h6-7H,2-5H2,1H3,(H,10,15)(H,16,17).
What are the key properties of 3-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid?
3-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid has a molecular weight of 241.25 g/mol, XLogP of -0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 81065301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).