1-[[5-[(dimethylamino)methyl]tetrazol-1-yl]methyl]cycloheptane-1-carboxylic acid

C13H23N5O2 — CID 115444923

IUPAC1-[[5-[(dimethylamino)methyl]tetrazol-1-yl]methyl]cycloheptane-1-carboxylic acid
SMILESCN(C)Cc1nnnn1CC1(C(=O)O)CCCCCC1
InChIInChI=1S/C13H23N5O2/c1-17(2)9-11-14-15-16-18(11)10-13(12(19)20)7-5-3-4-6-8-13/h3-10H2,1-2H3,(H,19,20)
InChIKeyZUFFAENLBJWYSD-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.16
Rot. Bonds5

About 1-[[5-[(dimethylamino)methyl]tetrazol-1-yl]methyl]cycloheptane-1-carboxylic acid

1-[[5-[(dimethylamino)methyl]tetrazol-1-yl]methyl]cycloheptane-1-carboxylic acid (PubChem CID 115444923) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[[5-[(dimethylamino)methyl]tetrazol-1-yl]methyl]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[5-[(dimethylamino)methyl]tetrazol-1-yl]methyl]cycloheptane-1-carboxylic acid
PubChem CID115444923
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name1-[[5-[(dimethylamino)methyl]tetrazol-1-yl]methyl]cycloheptane-1-carboxylic acid
SMILESCN(C)Cc1nnnn1CC1(C(=O)O)CCCCCC1
InChIInChI=1S/C13H23N5O2/c1-17(2)9-11-14-15-16-18(11)10-13(12(19)20)7-5-3-4-6-8-13/h3-10H2,1-2H3,(H,19,20)
InChIKeyZUFFAENLBJWYSD-UHFFFAOYSA-N
XLogP1.16
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[5-(methoxymethyl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid
CID 115434603
1-[[5-(3-methylbutyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 115437134
1-[(5-cyclopropyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 115437185
1-[[5-(2,2-dimethylcyclopropyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 107003608
1-[(5-cyclopentyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 115437179
4-[[5-(1-methylcyclopentyl)tetrazol-1-yl]methyl]oxane-4-carboxylic acid
CID 115440757
1-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid
CID 103213522
1-[(5-pyrimidin-5-yltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 102923005
1-[[5-(3-methylfuran-2-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 115437087
1-[[5-(3-methylthiophen-2-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 115437204
1-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 103213526
1-[(5-pyrimidin-5-yltetrazol-1-yl)methyl]cyclopentane-1-carboxylic acid
CID 102923004

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[(dimethylamino)methyl]tetrazol-1-yl]methyl]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[[5-[(dimethylamino)methyl]tetrazol-1-yl]methyl]cycloheptane-1-carboxylic acid (CID 115444923) is 1-[[5-[(dimethylamino)methyl]tetrazol-1-yl]methyl]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[[5-[(dimethylamino)methyl]tetrazol-1-yl]methyl]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[[5-[(dimethylamino)methyl]tetrazol-1-yl]methyl]cycloheptane-1-carboxylic acid is CN(C)Cc1nnnn1CC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-[[5-[(dimethylamino)methyl]tetrazol-1-yl]methyl]cycloheptane-1-carboxylic acid?
The InChIKey is ZUFFAENLBJWYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-17(2)9-11-14-15-16-18(11)10-13(12(19)20)7-5-3-4-6-8-13/h3-10H2,1-2H3,(H,19,20).
What are the key properties of 1-[[5-[(dimethylamino)methyl]tetrazol-1-yl]methyl]cycloheptane-1-carboxylic acid?
1-[[5-[(dimethylamino)methyl]tetrazol-1-yl]methyl]cycloheptane-1-carboxylic acid has a molecular weight of 281.36 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[(dimethylamino)methyl]tetrazol-1-yl]methyl]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 115444923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).