2-methyl-1-[[4-[methyl-(3-methyloxetan-3-yl)amino]cyclohexyl]methyl]indole-3-carboxylic acid

C22H30N2O3 — CID 167042120

IUPAC2-methyl-1-[[4-[methyl-(3-methyloxetan-3-yl)amino]cyclohexyl]methyl]indole-3-carboxylic acid
SMILESCc1c(C(=O)O)c2ccccc2n1CC1CCC(N(C)C2(C)COC2)CC1
InChIInChI=1S/C22H30N2O3/c1-15-20(21(25)26)18-6-4-5-7-19(18)24(15)12-16-8-10-17(11-9-16)23(3)22(2)13-27-14-22/h4-7,16-17H,8-14H2,1-3H3,(H,25,26)
InChIKeyVZOSAPNWMWBKFO-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.93
Rot. Bonds5

About 2-methyl-1-[[4-[methyl-(3-methyloxetan-3-yl)amino]cyclohexyl]methyl]indole-3-carboxylic acid

2-methyl-1-[[4-[methyl-(3-methyloxetan-3-yl)amino]cyclohexyl]methyl]indole-3-carboxylic acid (PubChem CID 167042120) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-methyl-1-[[4-[methyl-(3-methyloxetan-3-yl)amino]cyclohexyl]methyl]indole-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[[4-[methyl-(3-methyloxetan-3-yl)amino]cyclohexyl]methyl]indole-3-carboxylic acid
PubChem CID167042120
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name2-methyl-1-[[4-[methyl-(3-methyloxetan-3-yl)amino]cyclohexyl]methyl]indole-3-carboxylic acid
SMILESCc1c(C(=O)O)c2ccccc2n1CC1CCC(N(C)C2(C)COC2)CC1
InChIInChI=1S/C22H30N2O3/c1-15-20(21(25)26)18-6-4-5-7-19(18)24(15)12-16-8-10-17(11-9-16)23(3)22(2)13-27-14-22/h4-7,16-17H,8-14H2,1-3H3,(H,25,26)
InChIKeyVZOSAPNWMWBKFO-UHFFFAOYSA-N
XLogP3.93
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-[[4-[methyl-(3-methyloxetan-3-yl)amino]cyclohexyl]methyl]indole-3-carboxylic acid with MolForge

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Related Compounds

2-methyl-1-(oxan-4-ylmethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indole-5-carboxylic acid
CID 122436820
N-hydroxy-4-[[2-methyl-1-[[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]methyl]indol-3-yl]methyl]benzamide
CID 118211597
2-methyl-1-[1-[5-[(3-methyloxetan-3-yl)amino]-1,3-dioxan-2-yl]ethyl]indole-3-carboxylic acid
CID 166666399
methyl 1-[[4-[3-(difluoromethoxy)azetidin-1-yl]cyclohexyl]methyl]-2-methylindole-3-carboxylate
CID 167042152
2-methyl-1-[(3-methylphenyl)methyl]indole-3-carboxylic acid
CID 91690082
N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[4-(oxetan-3-ylamino)cyclohexyl]methyl]indole-3-carboxamide
CID 167042207
5-[(3-bromo-2-methylindol-1-yl)methyl]oxolane-2-carboxylic acid
CID 62829407
methyl 4-[[1-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-2-methylindol-3-yl]methyl]benzoate
CID 118212073
(4-methoxyphenyl)-[2-methyl-1-[(1-propylpiperidin-3-yl)methyl]indol-3-yl]methanone
CID 15015511
(4-methoxyphenyl)-[2-methyl-1-[(4-methylmorpholin-2-yl)methyl]indol-3-yl]methanone;hydrochloride
CID 18968741
1-[1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]ethanone
CID 142589954
1-(cyclopropylmethyl)-2-(9-ethylpyrido[2,3-b]indol-3-yl)-4,6-dimethylbenzimidazole-5-carboxylic acid
CID 90202362

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[4-[methyl-(3-methyloxetan-3-yl)amino]cyclohexyl]methyl]indole-3-carboxylic acid?
The IUPAC name of 2-methyl-1-[[4-[methyl-(3-methyloxetan-3-yl)amino]cyclohexyl]methyl]indole-3-carboxylic acid (CID 167042120) is 2-methyl-1-[[4-[methyl-(3-methyloxetan-3-yl)amino]cyclohexyl]methyl]indole-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[[4-[methyl-(3-methyloxetan-3-yl)amino]cyclohexyl]methyl]indole-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-[[4-[methyl-(3-methyloxetan-3-yl)amino]cyclohexyl]methyl]indole-3-carboxylic acid is Cc1c(C(=O)O)c2ccccc2n1CC1CCC(N(C)C2(C)COC2)CC1.
What is the InChIKey of 2-methyl-1-[[4-[methyl-(3-methyloxetan-3-yl)amino]cyclohexyl]methyl]indole-3-carboxylic acid?
The InChIKey is VZOSAPNWMWBKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-15-20(21(25)26)18-6-4-5-7-19(18)24(15)12-16-8-10-17(11-9-16)23(3)22(2)13-27-14-22/h4-7,16-17H,8-14H2,1-3H3,(H,25,26).
What are the key properties of 2-methyl-1-[[4-[methyl-(3-methyloxetan-3-yl)amino]cyclohexyl]methyl]indole-3-carboxylic acid?
2-methyl-1-[[4-[methyl-(3-methyloxetan-3-yl)amino]cyclohexyl]methyl]indole-3-carboxylic acid has a molecular weight of 370.49 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[4-[methyl-(3-methyloxetan-3-yl)amino]cyclohexyl]methyl]indole-3-carboxylic acid is sourced from PubChem (CID 167042120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).