6-hydroxy-2-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]hexanoic acid

C15H20N4O3 — CID 123390760

IUPAC6-hydroxy-2-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]hexanoic acid
SMILESO=C(O)C(CCCCO)C(Cc1ccccc1)c1nn[nH]n1
InChIInChI=1S/C15H20N4O3/c20-9-5-4-8-12(15(21)22)13(14-16-18-19-17-14)10-11-6-2-1-3-7-11/h1-3,6-7,12-13,20H,4-5,8-10H2,(H,21,22)(H,16,17,18,19)
InChIKeyKOSUZEMBUYKQBU-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.39
Rot. Bonds9

About 6-hydroxy-2-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]hexanoic acid

6-hydroxy-2-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]hexanoic acid (PubChem CID 123390760) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 6-hydroxy-2-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]hexanoic acid.

Molecular Properties

Compound Name6-hydroxy-2-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]hexanoic acid
PubChem CID123390760
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name6-hydroxy-2-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]hexanoic acid
SMILESO=C(O)C(CCCCO)C(Cc1ccccc1)c1nn[nH]n1
InChIInChI=1S/C15H20N4O3/c20-9-5-4-8-12(15(21)22)13(14-16-18-19-17-14)10-11-6-2-1-3-7-11/h1-3,6-7,12-13,20H,4-5,8-10H2,(H,21,22)(H,16,17,18,19)
InChIKeyKOSUZEMBUYKQBU-UHFFFAOYSA-N
XLogP1.39
TPSA111.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]heptanedioic acid
CID 118499889
(2R)-2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 118499935
2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]-5-piperidin-4-ylpentanoic acid
CID 118499972
4-[3-carboxy-2-(2H-tetrazol-5-yl)hexyl]benzoic acid
CID 123953729
tert-butyl (2S)-6-cyano-2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]hexanoate
CID 118499860
2-[(1S)-2-(4-carbamoylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 129240231
(3S,4S)-3-(cyclopropylmethyl)-5-phenyl-4-(2H-tetrazol-5-yl)pentan-2-one
CID 129264669
(2S)-2-[(1S)-2-[3-[3-(aminomethyl)phenyl]phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 118506138
2-[2-(3-pyridin-3-ylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 123990328
2-[(1S)-2-(6-oxo-1H-pyridin-3-yl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 118499847
(2S)-2-[(1S)-2-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 118506037
2-[2-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 123520308

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]hexanoic acid?
The IUPAC name of 6-hydroxy-2-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]hexanoic acid (CID 123390760) is 6-hydroxy-2-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]hexanoic acid.
What is the SMILES notation for 6-hydroxy-2-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]hexanoic acid?
The canonical SMILES for 6-hydroxy-2-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]hexanoic acid is O=C(O)C(CCCCO)C(Cc1ccccc1)c1nn[nH]n1.
What is the InChIKey of 6-hydroxy-2-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]hexanoic acid?
The InChIKey is KOSUZEMBUYKQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c20-9-5-4-8-12(15(21)22)13(14-16-18-19-17-14)10-11-6-2-1-3-7-11/h1-3,6-7,12-13,20H,4-5,8-10H2,(H,21,22)(H,16,17,18,19).
What are the key properties of 6-hydroxy-2-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]hexanoic acid?
6-hydroxy-2-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]hexanoic acid has a molecular weight of 304.35 g/mol, XLogP of 1.39, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]hexanoic acid is sourced from PubChem (CID 123390760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).