2-[1-[1-cyclobutylpropan-2-yl(methyl)amino]cyclohexyl]acetic acid

C16H29NO2 — CID 113490296

IUPAC2-[1-[1-cyclobutylpropan-2-yl(methyl)amino]cyclohexyl]acetic acid
SMILESCC(CC1CCC1)N(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C16H29NO2/c1-13(11-14-7-6-8-14)17(2)16(12-15(18)19)9-4-3-5-10-16/h13-14H,3-12H2,1-2H3,(H,18,19)
InChIKeyLXCCAZOMZBMDMD-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.67
Rot. Bonds6

About 2-[1-[1-cyclobutylpropan-2-yl(methyl)amino]cyclohexyl]acetic acid

2-[1-[1-cyclobutylpropan-2-yl(methyl)amino]cyclohexyl]acetic acid (PubChem CID 113490296) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2-[1-[1-cyclobutylpropan-2-yl(methyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-cyclobutylpropan-2-yl(methyl)amino]cyclohexyl]acetic acid
PubChem CID113490296
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2-[1-[1-cyclobutylpropan-2-yl(methyl)amino]cyclohexyl]acetic acid
SMILESCC(CC1CCC1)N(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C16H29NO2/c1-13(11-14-7-6-8-14)17(2)16(12-15(18)19)9-4-3-5-10-16/h13-14H,3-12H2,1-2H3,(H,18,19)
InChIKeyLXCCAZOMZBMDMD-UHFFFAOYSA-N
XLogP3.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[4-methoxybutan-2-yl(methyl)amino]cyclohexyl]acetic acid
CID 65241027
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CID 65243102
2-[1-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]cyclohexyl]acetic acid
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2-[1-(dimethylamino)cycloheptyl]acetic acid
CID 64526393
2-[1-[formyl(methyl)amino]cyclohexyl]acetic acid
CID 65242680
2-[1-[methyl(propanoyl)amino]cyclohexyl]acetic acid
CID 65242914
2-[1-(diethylamino)-4-ethylcycloheptyl]acetic acid
CID 65087597
2-[1-[[cyclopropyl(ethyl)carbamoyl]-methylamino]cyclohexyl]acetic acid
CID 65240704
2-[1-[2-(azetidin-3-yl)propanoyl-methylamino]cyclohexyl]acetic acid
CID 116678184
2-[1-[methyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclohexyl]acetic acid
CID 65242905
2-[1-[[(2S)-2-aminopropanoyl]-methylamino]cyclohexyl]acetic acid
CID 65240598
2-[1-[[(2R)-2-aminopropanoyl]-methylamino]cyclohexyl]acetic acid
CID 79005049

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-cyclobutylpropan-2-yl(methyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[1-cyclobutylpropan-2-yl(methyl)amino]cyclohexyl]acetic acid (CID 113490296) is 2-[1-[1-cyclobutylpropan-2-yl(methyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[1-cyclobutylpropan-2-yl(methyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[1-cyclobutylpropan-2-yl(methyl)amino]cyclohexyl]acetic acid is CC(CC1CCC1)N(C)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[1-cyclobutylpropan-2-yl(methyl)amino]cyclohexyl]acetic acid?
The InChIKey is LXCCAZOMZBMDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-13(11-14-7-6-8-14)17(2)16(12-15(18)19)9-4-3-5-10-16/h13-14H,3-12H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-[1-cyclobutylpropan-2-yl(methyl)amino]cyclohexyl]acetic acid?
2-[1-[1-cyclobutylpropan-2-yl(methyl)amino]cyclohexyl]acetic acid has a molecular weight of 267.41 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-cyclobutylpropan-2-yl(methyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 113490296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).