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

C9H15N5O3 — CID 43422579

IUPACmethyl 3-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoate
SMILESCOC(=O)C(NC(=O)Cn1cnnn1)C(C)C
InChIInChI=1S/C9H15N5O3/c1-6(2)8(9(16)17-3)11-7(15)4-14-5-10-12-13-14/h5-6,8H,4H2,1-3H3,(H,11,15)
InChIKeyAHKBJDRTCWAGNR-UHFFFAOYSA-N
MW241.25 g/mol
LogP-1.01
Rot. Bonds5

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

methyl 3-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoate (PubChem CID 43422579) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is methyl 3-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoate
PubChem CID43422579
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC Namemethyl 3-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoate
SMILESCOC(=O)C(NC(=O)Cn1cnnn1)C(C)C
InChIInChI=1S/C9H15N5O3/c1-6(2)8(9(16)17-3)11-7(15)4-14-5-10-12-13-14/h5-6,8H,4H2,1-3H3,(H,11,15)
InChIKeyAHKBJDRTCWAGNR-UHFFFAOYSA-N
XLogP-1.01
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl (2S)-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate
CID 56817529
3-hydroxy-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid
CID 24711091
methyl 2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-3-methylbutanoate
CID 54901524
methyl (2S)-2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-3-methylbutanoate
CID 115459149
methyl (2S)-2-[(2-indazol-2-ylacetyl)amino]-3-methylbutanoate
CID 24800199
N-ethyl-2-(tetrazol-1-yl)acetamide
CID 130679342
methyl 3-methyl-2-[3-(triazol-1-yl)propanoylamino]butanoate
CID 43423188
N-[1-(1H-pyrazol-4-yl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 103855789
methyl 3-methyl-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]butanoate
CID 43423558
N-[1-(4-sulfamoylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 42905640
methyl 3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoate
CID 43623190
2-methoxy-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
CID 106107321

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoate?
The IUPAC name of methyl 3-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoate (CID 43422579) is methyl 3-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoate is COC(=O)C(NC(=O)Cn1cnnn1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoate?
The InChIKey is AHKBJDRTCWAGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3/c1-6(2)8(9(16)17-3)11-7(15)4-14-5-10-12-13-14/h5-6,8H,4H2,1-3H3,(H,11,15).
What are the key properties of methyl 3-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoate?
methyl 3-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoate has a molecular weight of 241.25 g/mol, XLogP of -1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoate is sourced from PubChem (CID 43422579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).