2-[1-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]cyclohexyl]acetic acid

C14H23N5O2 — CID 65242716

IUPAC2-[1-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]cyclohexyl]acetic acid
SMILESCN(Cc1nnnn1C1CC1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H23N5O2/c1-18(10-12-15-16-17-19(12)11-5-6-11)14(9-13(20)21)7-3-2-4-8-14/h11H,2-10H2,1H3,(H,20,21)
InChIKeyYUYXPYDCRCMYJK-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.62
Rot. Bonds6

About 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]cyclohexyl]acetic acid

2-[1-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]cyclohexyl]acetic acid (PubChem CID 65242716) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]cyclohexyl]acetic acid
PubChem CID65242716
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name2-[1-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]cyclohexyl]acetic acid
SMILESCN(Cc1nnnn1C1CC1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H23N5O2/c1-18(10-12-15-16-17-19(12)11-5-6-11)14(9-13(20)21)7-3-2-4-8-14/h11H,2-10H2,1H3,(H,20,21)
InChIKeyYUYXPYDCRCMYJK-UHFFFAOYSA-N
XLogP1.62
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]cyclohexyl]acetic acid
CID 66141475
N-cyclopropyl-2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]acetamide
CID 86922267
2-[1-(dimethylamino)cycloheptyl]acetic acid
CID 64526393
methyl 2-[1-[(1-cyclopropyltetrazol-5-yl)methylamino]cyclohexyl]acetate
CID 71919378
2-[1-[methyl-[(2-methylphenyl)methyl]amino]cyclohexyl]acetic acid
CID 65242856
2-[1-[furan-3-ylmethyl(methyl)amino]cyclohexyl]acetic acid
CID 65240642
2-[1-[(2-chlorophenyl)methyl-methylamino]cyclohexyl]acetic acid
CID 65242660
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 86989057
2-[1-[methyl(1,2-oxazol-4-ylmethyl)amino]cyclohexyl]acetic acid
CID 65242953
2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915232
2-[1-(2-methylcyclohexyl)tetrazol-5-yl]acetic acid
CID 82228275
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylazetidin-3-amine
CID 66187611

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]cyclohexyl]acetic acid (CID 65242716) is 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]cyclohexyl]acetic acid is CN(Cc1nnnn1C1CC1)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]cyclohexyl]acetic acid?
The InChIKey is YUYXPYDCRCMYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-18(10-12-15-16-17-19(12)11-5-6-11)14(9-13(20)21)7-3-2-4-8-14/h11H,2-10H2,1H3,(H,20,21).
What are the key properties of 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]cyclohexyl]acetic acid?
2-[1-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]cyclohexyl]acetic acid has a molecular weight of 293.37 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]cyclohexyl]acetic acid is sourced from PubChem (CID 65242716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).