2-[[2-[1-(2-fluoroethyl)tetrazol-5-yl]acetyl]amino]acetic acid

C7H10FN5O3 — CID 117097804

IUPAC2-[[2-[1-(2-fluoroethyl)tetrazol-5-yl]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1nnnn1CCF
InChIInChI=1S/C7H10FN5O3/c8-1-2-13-5(10-11-12-13)3-6(14)9-4-7(15)16/h1-4H2,(H,9,14)(H,15,16)
InChIKeyPWXZPCMSMRSYDB-UHFFFAOYSA-N
MW231.19 g/mol
LogP-1.61
Rot. Bonds6

About 2-[[2-[1-(2-fluoroethyl)tetrazol-5-yl]acetyl]amino]acetic acid

2-[[2-[1-(2-fluoroethyl)tetrazol-5-yl]acetyl]amino]acetic acid (PubChem CID 117097804) has the molecular formula C7H10FN5O3 and a molecular weight of 231.19 g/mol. Its IUPAC name is 2-[[2-[1-(2-fluoroethyl)tetrazol-5-yl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[1-(2-fluoroethyl)tetrazol-5-yl]acetyl]amino]acetic acid
PubChem CID117097804
Molecular FormulaC7H10FN5O3
Molecular Weight231.19 g/mol
Exact Mass231.08
IUPAC Name2-[[2-[1-(2-fluoroethyl)tetrazol-5-yl]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1nnnn1CCF
InChIInChI=1S/C7H10FN5O3/c8-1-2-13-5(10-11-12-13)3-6(14)9-4-7(15)16/h1-4H2,(H,9,14)(H,15,16)
InChIKeyPWXZPCMSMRSYDB-UHFFFAOYSA-N
XLogP-1.61
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.19
LogP ≤ 5-1.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(2-fluoroethyl)tetrazol-5-yl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[1-(2-fluoroethyl)tetrazol-5-yl]acetyl]amino]acetic acid (CID 117097804) is 2-[[2-[1-(2-fluoroethyl)tetrazol-5-yl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[1-(2-fluoroethyl)tetrazol-5-yl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[1-(2-fluoroethyl)tetrazol-5-yl]acetyl]amino]acetic acid is O=C(O)CNC(=O)Cc1nnnn1CCF.
What is the InChIKey of 2-[[2-[1-(2-fluoroethyl)tetrazol-5-yl]acetyl]amino]acetic acid?
The InChIKey is PWXZPCMSMRSYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN5O3/c8-1-2-13-5(10-11-12-13)3-6(14)9-4-7(15)16/h1-4H2,(H,9,14)(H,15,16).
What are the key properties of 2-[[2-[1-(2-fluoroethyl)tetrazol-5-yl]acetyl]amino]acetic acid?
2-[[2-[1-(2-fluoroethyl)tetrazol-5-yl]acetyl]amino]acetic acid has a molecular weight of 231.19 g/mol, XLogP of -1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(2-fluoroethyl)tetrazol-5-yl]acetyl]amino]acetic acid is sourced from PubChem (CID 117097804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).