2-[1-[(3-methoxy-2-methylpropyl)-methylamino]cyclohexyl]acetic acid

C14H27NO3 — CID 116503333

IUPAC2-[1-[(3-methoxy-2-methylpropyl)-methylamino]cyclohexyl]acetic acid
SMILESCOCC(C)CN(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H27NO3/c1-12(11-18-3)10-15(2)14(9-13(16)17)7-5-4-6-8-14/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeySPHFPUJLMCSCKK-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.38
Rot. Bonds7

About 2-[1-[(3-methoxy-2-methylpropyl)-methylamino]cyclohexyl]acetic acid

2-[1-[(3-methoxy-2-methylpropyl)-methylamino]cyclohexyl]acetic acid (PubChem CID 116503333) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-[1-[(3-methoxy-2-methylpropyl)-methylamino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-methoxy-2-methylpropyl)-methylamino]cyclohexyl]acetic acid
PubChem CID116503333
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-[1-[(3-methoxy-2-methylpropyl)-methylamino]cyclohexyl]acetic acid
SMILESCOCC(C)CN(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H27NO3/c1-12(11-18-3)10-15(2)14(9-13(16)17)7-5-4-6-8-14/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeySPHFPUJLMCSCKK-UHFFFAOYSA-N
XLogP2.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid
CID 65243385
2-[1-[4-methoxybutan-2-yl(methyl)amino]cyclohexyl]acetic acid
CID 65241027
2-[1-[2-ethoxyethyl(methyl)amino]cyclohexyl]acetic acid
CID 65243143
2-[1-[3-methoxypropanoyl(methyl)amino]cyclohexyl]acetic acid
CID 65243348
2-[1-(dimethylamino)cycloheptyl]acetic acid
CID 64526393
2-[1-[[(2R)-2-aminopropanoyl]-methylamino]cyclohexyl]acetic acid
CID 79005049
2-[1-[[(2S)-2-aminopropanoyl]-methylamino]cyclohexyl]acetic acid
CID 65240598
2-[1-[methyl(2-phenoxyethyl)amino]cyclohexyl]acetic acid
CID 65243426
2-[1-[acetyl(methyl)amino]cyclohexyl]acetic acid
CID 65238588
2-[1-[methyl(2-propan-2-yloxyethylsulfonyl)amino]cyclohexyl]acetic acid
CID 79592627
2-[1-[(3-hydroxy-3-methylbutyl)-methylamino]cyclohexyl]acetic acid
CID 79354977
2-[1-[formyl(methyl)amino]cyclohexyl]acetic acid
CID 65242680

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methoxy-2-methylpropyl)-methylamino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(3-methoxy-2-methylpropyl)-methylamino]cyclohexyl]acetic acid (CID 116503333) is 2-[1-[(3-methoxy-2-methylpropyl)-methylamino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-methoxy-2-methylpropyl)-methylamino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(3-methoxy-2-methylpropyl)-methylamino]cyclohexyl]acetic acid is COCC(C)CN(C)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[(3-methoxy-2-methylpropyl)-methylamino]cyclohexyl]acetic acid?
The InChIKey is SPHFPUJLMCSCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-12(11-18-3)10-15(2)14(9-13(16)17)7-5-4-6-8-14/h12H,4-11H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-[(3-methoxy-2-methylpropyl)-methylamino]cyclohexyl]acetic acid?
2-[1-[(3-methoxy-2-methylpropyl)-methylamino]cyclohexyl]acetic acid has a molecular weight of 257.37 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methoxy-2-methylpropyl)-methylamino]cyclohexyl]acetic acid is sourced from PubChem (CID 116503333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).