3-[[2-(1-propan-2-yltetrazol-5-yl)acetyl]amino]propanoic acid

C9H15N5O3 — CID 117097862

IUPAC3-[[2-(1-propan-2-yltetrazol-5-yl)acetyl]amino]propanoic acid
SMILESCC(C)n1nnnc1CC(=O)NCCC(=O)O
InChIInChI=1S/C9H15N5O3/c1-6(2)14-7(11-12-13-14)5-8(15)10-4-3-9(16)17/h6H,3-5H2,1-2H3,(H,10,15)(H,16,17)
InChIKeyGPVRHGVDHMZNBS-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.61
Rot. Bonds6

About 3-[[2-(1-propan-2-yltetrazol-5-yl)acetyl]amino]propanoic acid

3-[[2-(1-propan-2-yltetrazol-5-yl)acetyl]amino]propanoic acid (PubChem CID 117097862) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-[[2-(1-propan-2-yltetrazol-5-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(1-propan-2-yltetrazol-5-yl)acetyl]amino]propanoic acid
PubChem CID117097862
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC Name3-[[2-(1-propan-2-yltetrazol-5-yl)acetyl]amino]propanoic acid
SMILESCC(C)n1nnnc1CC(=O)NCCC(=O)O
InChIInChI=1S/C9H15N5O3/c1-6(2)14-7(11-12-13-14)5-8(15)10-4-3-9(16)17/h6H,3-5H2,1-2H3,(H,10,15)(H,16,17)
InChIKeyGPVRHGVDHMZNBS-UHFFFAOYSA-N
XLogP-0.61
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 ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-[1-(3-oxobutyl)tetrazol-5-yl]acetyl]amino]propanoic acid
CID 117097881
2-(1-propan-2-yltetrazol-5-yl)ethylcarbamic acid
CID 68755649
3-[[2-[1-(cyanomethyl)tetrazol-5-yl]acetyl]amino]propanoic acid
CID 117097861
2-[[2-[1-(1-amino-1-oxopropan-2-yl)tetrazol-5-yl]acetyl]amino]propanoic acid
CID 117097847
N-butyl-2-(1-methyltetrazol-5-yl)acetamide
CID 110496861
bis(3-(2-methylpropanoylamino)propanoic acid);tetrahydrate
CID 174949925
3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]propanoic acid
CID 16770026
N-[(1-propan-2-yltetrazol-5-yl)methyl]oxolane-2-carboxamide
CID 71688455
2-[[2-[1-(2-fluoroethyl)tetrazol-5-yl]acetyl]amino]acetic acid
CID 117097804
N-[2-(2,6-difluorophenyl)ethyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 87019140
2-(1-benzhydryltetrazol-5-yl)acetic acid
CID 84758807
3-[[2-(1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 83617873

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-propan-2-yltetrazol-5-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(1-propan-2-yltetrazol-5-yl)acetyl]amino]propanoic acid (CID 117097862) is 3-[[2-(1-propan-2-yltetrazol-5-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(1-propan-2-yltetrazol-5-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(1-propan-2-yltetrazol-5-yl)acetyl]amino]propanoic acid is CC(C)n1nnnc1CC(=O)NCCC(=O)O.
What is the InChIKey of 3-[[2-(1-propan-2-yltetrazol-5-yl)acetyl]amino]propanoic acid?
The InChIKey is GPVRHGVDHMZNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3/c1-6(2)14-7(11-12-13-14)5-8(15)10-4-3-9(16)17/h6H,3-5H2,1-2H3,(H,10,15)(H,16,17).
What are the key properties of 3-[[2-(1-propan-2-yltetrazol-5-yl)acetyl]amino]propanoic acid?
3-[[2-(1-propan-2-yltetrazol-5-yl)acetyl]amino]propanoic acid has a molecular weight of 241.25 g/mol, XLogP of -0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-propan-2-yltetrazol-5-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 117097862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).