methyl (2S)-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate

C7H11N5O3 — CID 56817529

IUPACmethyl (2S)-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)Cn1cnnn1
InChIInChI=1S/C7H11N5O3/c1-5(7(14)15-2)9-6(13)3-12-4-8-10-11-12/h4-5H,3H2,1-2H3,(H,9,13)/t5-/m0/s1
InChIKeyJLCZIRSLKUNRAH-YFKPBYRVSA-N
MW213.20 g/mol
LogP-1.65
Rot. Bonds4

About methyl (2S)-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate

methyl (2S)-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate (PubChem CID 56817529) has the molecular formula C7H11N5O3 and a molecular weight of 213.20 g/mol. Its IUPAC name is methyl (2S)-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate
PubChem CID56817529
Molecular FormulaC7H11N5O3
Molecular Weight213.20 g/mol
Exact Mass213.09
IUPAC Namemethyl (2S)-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)Cn1cnnn1
InChIInChI=1S/C7H11N5O3/c1-5(7(14)15-2)9-6(13)3-12-4-8-10-11-12/h4-5H,3H2,1-2H3,(H,9,13)/t5-/m0/s1
InChIKeyJLCZIRSLKUNRAH-YFKPBYRVSA-N
XLogP-1.65
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 5-1.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate?
The IUPAC name of methyl (2S)-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate (CID 56817529) is methyl (2S)-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl (2S)-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate is COC(=O)[C@H](C)NC(=O)Cn1cnnn1.
What is the InChIKey of methyl (2S)-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate?
The InChIKey is JLCZIRSLKUNRAH-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11N5O3/c1-5(7(14)15-2)9-6(13)3-12-4-8-10-11-12/h4-5H,3H2,1-2H3,(H,9,13)/t5-/m0/s1.
What are the key properties of methyl (2S)-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate?
methyl (2S)-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate has a molecular weight of 213.20 g/mol, XLogP of -1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate is sourced from PubChem (CID 56817529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).