2-(2-dodecyl-1,3-dihydrotetrazol-5-yl)acetic acid

C15H30N4O2 — CID 146841791

IUPAC2-(2-dodecyl-1,3-dihydrotetrazol-5-yl)acetic acid
SMILESCCCCCCCCCCCCN1NN=C(CC(=O)O)N1
InChIInChI=1S/C15H30N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-17-14(16-18-19)13-15(20)21/h18H,2-13H2,1H3,(H,16,17)(H,20,21)
InChIKeySGHBTTYSDOREJZ-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.02
Rot. Bonds13

About 2-(2-dodecyl-1,3-dihydrotetrazol-5-yl)acetic acid

2-(2-dodecyl-1,3-dihydrotetrazol-5-yl)acetic acid (PubChem CID 146841791) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-(2-dodecyl-1,3-dihydrotetrazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-dodecyl-1,3-dihydrotetrazol-5-yl)acetic acid
PubChem CID146841791
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Name2-(2-dodecyl-1,3-dihydrotetrazol-5-yl)acetic acid
SMILESCCCCCCCCCCCCN1NN=C(CC(=O)O)N1
InChIInChI=1S/C15H30N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-17-14(16-18-19)13-15(20)21/h18H,2-13H2,1H3,(H,16,17)(H,20,21)
InChIKeySGHBTTYSDOREJZ-UHFFFAOYSA-N
XLogP3.02
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.02
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-(1-decyl-3,5-dimethylpyrazol-4-yl)acetic acid
CID 62222579
2-(1-nonyltetrazol-5-yl)acetic acid
CID 162532459
2-(1-heptyltriazol-4-yl)acetic acid
CID 107461252
decane;propanoic acid
CID 158826686
CID 87141446
CID 87141446
butane;bis(dodecanoic acid)
CID 173065671
azane;dodecane;propanoic acid
CID 173003652
bis(butanedioic acid);decane
CID 159628544
octadecyltetrazetidine
CID 150793790
icosane;oxalic acid
CID 175691290
acetic acid;decane
CID 172853582
acetic acid;nonane
CID 174272180

Frequently Asked Questions

What is the IUPAC name of 2-(2-dodecyl-1,3-dihydrotetrazol-5-yl)acetic acid?
The IUPAC name of 2-(2-dodecyl-1,3-dihydrotetrazol-5-yl)acetic acid (CID 146841791) is 2-(2-dodecyl-1,3-dihydrotetrazol-5-yl)acetic acid.
What is the SMILES notation for 2-(2-dodecyl-1,3-dihydrotetrazol-5-yl)acetic acid?
The canonical SMILES for 2-(2-dodecyl-1,3-dihydrotetrazol-5-yl)acetic acid is CCCCCCCCCCCCN1NN=C(CC(=O)O)N1.
What is the InChIKey of 2-(2-dodecyl-1,3-dihydrotetrazol-5-yl)acetic acid?
The InChIKey is SGHBTTYSDOREJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-17-14(16-18-19)13-15(20)21/h18H,2-13H2,1H3,(H,16,17)(H,20,21).
What are the key properties of 2-(2-dodecyl-1,3-dihydrotetrazol-5-yl)acetic acid?
2-(2-dodecyl-1,3-dihydrotetrazol-5-yl)acetic acid has a molecular weight of 298.43 g/mol, XLogP of 3.02, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dodecyl-1,3-dihydrotetrazol-5-yl)acetic acid is sourced from PubChem (CID 146841791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).