2-[2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethylamino]acetic acid

C17H16ClN5O3 — CID 164614537

IUPAC2-[2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethylamino]acetic acid
SMILESO=C(O)CNCCn1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C17H16ClN5O3/c18-13-3-7-15(8-4-13)26-14-5-1-12(2-6-14)17-20-22-23(21-17)10-9-19-11-16(24)25/h1-8,19H,9-11H2,(H,24,25)
InChIKeyLURSKVUJDNYDPG-UHFFFAOYSA-N
MW373.80 g/mol
LogP2.46
Rot. Bonds8

About 2-[2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethylamino]acetic acid

2-[2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethylamino]acetic acid (PubChem CID 164614537) has the molecular formula C17H16ClN5O3 and a molecular weight of 373.80 g/mol. Its IUPAC name is 2-[2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethylamino]acetic acid
PubChem CID164614537
Molecular FormulaC17H16ClN5O3
Molecular Weight373.80 g/mol
Exact Mass373.09
IUPAC Name2-[2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethylamino]acetic acid
SMILESO=C(O)CNCCn1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C17H16ClN5O3/c18-13-3-7-15(8-4-13)26-14-5-1-12(2-6-14)17-20-22-23(21-17)10-9-19-11-16(24)25/h1-8,19H,9-11H2,(H,24,25)
InChIKeyLURSKVUJDNYDPG-UHFFFAOYSA-N
XLogP2.46
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3~{R})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid
CID 118191832
2-[5-[4-[(2-chlorophenyl)methoxy]phenyl]tetrazol-2-yl]acetic Acid
CID 7357333
(3S)-3-amino-4-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]butanoic acid
CID 91810405
Lta4H-IN-3
CID 135209030
N-(tert-butyl)-2-(5-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-2H-tetrazol-2-yl)acetamide
CID 1259827
(2R)-1-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-2-amine
CID 164612985
(2R)-2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-amine
CID 164622107
3-[5-[4-(4-Chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-amine
CID 164623381
2-[5-[4-(4-Chlorophenoxy)phenyl]tetrazol-2-yl]ethanamine
CID 164627122
3-[5-[4-(4-Chlorophenoxy)phenyl]tetrazol-2-yl]propanoic acid
CID 164628272
(2S)-2-amino-3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propanoic acid
CID 164628661
N-[2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethyl]acetamide
CID 164614431

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethylamino]acetic acid?
The IUPAC name of 2-[2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethylamino]acetic acid (CID 164614537) is 2-[2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethylamino]acetic acid.
What is the SMILES notation for 2-[2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethylamino]acetic acid?
The canonical SMILES for 2-[2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethylamino]acetic acid is O=C(O)CNCCn1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1.
What is the InChIKey of 2-[2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethylamino]acetic acid?
The InChIKey is LURSKVUJDNYDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O3/c18-13-3-7-15(8-4-13)26-14-5-1-12(2-6-14)17-20-22-23(21-17)10-9-19-11-16(24)25/h1-8,19H,9-11H2,(H,24,25).
What are the key properties of 2-[2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethylamino]acetic acid?
2-[2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethylamino]acetic acid has a molecular weight of 373.80 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethylamino]acetic acid is sourced from PubChem (CID 164614537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).