2-methoxy-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid

C7H11N5O4 — CID 106107321

IUPAC2-methoxy-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
SMILESCOC(CNC(=O)Cn1cnnn1)C(=O)O
InChIInChI=1S/C7H11N5O4/c1-16-5(7(14)15)2-8-6(13)3-12-4-9-10-11-12/h4-5H,2-3H2,1H3,(H,8,13)(H,14,15)
InChIKeyJYYFQWQNJNGZES-UHFFFAOYSA-N
MW229.20 g/mol
LogP-2.11
Rot. Bonds6

About 2-methoxy-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid

2-methoxy-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid (PubChem CID 106107321) has the molecular formula C7H11N5O4 and a molecular weight of 229.20 g/mol. Its IUPAC name is 2-methoxy-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
PubChem CID106107321
Molecular FormulaC7H11N5O4
Molecular Weight229.20 g/mol
Exact Mass229.08
IUPAC Name2-methoxy-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
SMILESCOC(CNC(=O)Cn1cnnn1)C(=O)O
InChIInChI=1S/C7H11N5O4/c1-16-5(7(14)15)2-8-6(13)3-12-4-9-10-11-12/h4-5H,2-3H2,1H3,(H,8,13)(H,14,15)
InChIKeyJYYFQWQNJNGZES-UHFFFAOYSA-N
XLogP-2.11
TPSA119.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 5-2.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-3-[[2-(triazol-1-yl)acetyl]amino]propanoic acid
CID 106107864
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
N-[2-(methylamino)propyl]-2-(tetrazol-1-yl)acetamide
CID 103512678
N-ethyl-2-(tetrazol-1-yl)acetamide
CID 130679342
3-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid
CID 81065301
3-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-2-methoxypropanoic acid
CID 106109016
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-(tetrazol-1-yl)acetamide
CID 96568608
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
4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid
CID 24697179
2-methoxy-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 106107921

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-methoxy-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid (CID 106107321) is 2-methoxy-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-methoxy-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid is COC(CNC(=O)Cn1cnnn1)C(=O)O.
What is the InChIKey of 2-methoxy-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid?
The InChIKey is JYYFQWQNJNGZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O4/c1-16-5(7(14)15)2-8-6(13)3-12-4-9-10-11-12/h4-5H,2-3H2,1H3,(H,8,13)(H,14,15).
What are the key properties of 2-methoxy-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid?
2-methoxy-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid has a molecular weight of 229.20 g/mol, XLogP of -2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 106107321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).