2-[carboxymethyl(2H-tetrazol-5-ylmethylcarbamoyl)amino]acetic acid

C7H10N6O5 — CID 63645154

IUPAC2-[carboxymethyl(2H-tetrazol-5-ylmethylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)NCc1nn[nH]n1
InChIInChI=1S/C7H10N6O5/c14-5(15)2-13(3-6(16)17)7(18)8-1-4-9-11-12-10-4/h1-3H2,(H,8,18)(H,14,15)(H,16,17)(H,9,10,11,12)
InChIKeyDIISQYVTJZUSIC-UHFFFAOYSA-N
MW258.19 g/mol
LogP-2.12
Rot. Bonds6

About 2-[carboxymethyl(2H-tetrazol-5-ylmethylcarbamoyl)amino]acetic acid

2-[carboxymethyl(2H-tetrazol-5-ylmethylcarbamoyl)amino]acetic acid (PubChem CID 63645154) has the molecular formula C7H10N6O5 and a molecular weight of 258.19 g/mol. Its IUPAC name is 2-[carboxymethyl(2H-tetrazol-5-ylmethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(2H-tetrazol-5-ylmethylcarbamoyl)amino]acetic acid
PubChem CID63645154
Molecular FormulaC7H10N6O5
Molecular Weight258.19 g/mol
Exact Mass258.07
IUPAC Name2-[carboxymethyl(2H-tetrazol-5-ylmethylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)NCc1nn[nH]n1
InChIInChI=1S/C7H10N6O5/c14-5(15)2-13(3-6(16)17)7(18)8-1-4-9-11-12-10-4/h1-3H2,(H,8,18)(H,14,15)(H,16,17)(H,9,10,11,12)
InChIKeyDIISQYVTJZUSIC-UHFFFAOYSA-N
XLogP-2.12
TPSA161.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 5-2.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-amino-1-methyl-3-(2H-tetrazol-5-ylmethyl)urea
CID 118248182
1-amino-1-ethyl-3-(2H-tetrazol-5-ylmethyl)urea
CID 118248215
2-[bis(cyclopropylmethyl)amino]-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 166316578
2-[methyl-[2-(2H-tetrazol-5-yl)acetyl]amino]acetic acid
CID 110498043
hydron;2-(2H-tetrazol-5-yl)acetic acid
CID 174732621
lanthanum;tris(2-(2H-tetrazol-5-yl)acetic acid)
CID 156633731
3-ethoxy-4-(2H-tetrazol-5-ylmethylcarbamoylamino)butanoic acid
CID 114227175
3-(2H-tetrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550609
iron;2-(2H-tetrazol-5-yl)acetic acid;zinc
CID 175714955
2-[4-(2H-tetrazol-5-ylmethylcarbamoyl)triazol-1-yl]acetic acid
CID 66288972
2-methyl-4-(2H-tetrazol-5-ylmethylcarbamoylamino)butanoic acid
CID 80541695
2-[4-(2H-tetrazol-5-ylmethylcarbamoylamino)phenoxy]acetic acid
CID 63771362

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(2H-tetrazol-5-ylmethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(2H-tetrazol-5-ylmethylcarbamoyl)amino]acetic acid (CID 63645154) is 2-[carboxymethyl(2H-tetrazol-5-ylmethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(2H-tetrazol-5-ylmethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(2H-tetrazol-5-ylmethylcarbamoyl)amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)NCc1nn[nH]n1.
What is the InChIKey of 2-[carboxymethyl(2H-tetrazol-5-ylmethylcarbamoyl)amino]acetic acid?
The InChIKey is DIISQYVTJZUSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O5/c14-5(15)2-13(3-6(16)17)7(18)8-1-4-9-11-12-10-4/h1-3H2,(H,8,18)(H,14,15)(H,16,17)(H,9,10,11,12).
What are the key properties of 2-[carboxymethyl(2H-tetrazol-5-ylmethylcarbamoyl)amino]acetic acid?
2-[carboxymethyl(2H-tetrazol-5-ylmethylcarbamoyl)amino]acetic acid has a molecular weight of 258.19 g/mol, XLogP of -2.12, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(2H-tetrazol-5-ylmethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 63645154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).