2-[(3-cyclohexyl-3-phenylpropyl)-methylamino]acetic acid

C18H27NO2 — CID 21019852

IUPAC2-[(3-cyclohexyl-3-phenylpropyl)-methylamino]acetic acid
SMILESCN(CCC(c1ccccc1)C1CCCCC1)CC(=O)O
InChIInChI=1S/C18H27NO2/c1-19(14-18(20)21)13-12-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2,4-5,8-9,16-17H,3,6-7,10-14H2,1H3,(H,20,21)
InChIKeySPLLZAPYVYULBL-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.76
Rot. Bonds7

About 2-[(3-cyclohexyl-3-phenylpropyl)-methylamino]acetic acid

2-[(3-cyclohexyl-3-phenylpropyl)-methylamino]acetic acid (PubChem CID 21019852) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[(3-cyclohexyl-3-phenylpropyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-cyclohexyl-3-phenylpropyl)-methylamino]acetic acid
PubChem CID21019852
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-[(3-cyclohexyl-3-phenylpropyl)-methylamino]acetic acid
SMILESCN(CCC(c1ccccc1)C1CCCCC1)CC(=O)O
InChIInChI=1S/C18H27NO2/c1-19(14-18(20)21)13-12-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2,4-5,8-9,16-17H,3,6-7,10-14H2,1H3,(H,20,21)
InChIKeySPLLZAPYVYULBL-UHFFFAOYSA-N
XLogP3.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Dibenzylamino)acetic acid
CID 174082
1-((3,3-Diphenylpropyl)(methyl)amino)-2-methyl-2-propanol
CID 10851563
2-(4-Phenylpiperidin-1-yl)acetic acid
CID 1089052
Acetic acid 1-(4-phenyl-piperidin-1-ylmethyl)-propyl ester
CID 15925889
Lithium 2-[methyl-[3-phenyl-4-[4-(trifluoromethyl)phenyl]butyl]amino]acetate
CID 44303910
methyl 2-[(2R,6S)-2,6-bis(2-phenylethyl)piperidin-1-yl]acetate
CID 76314848
(4-Benzylpiperidin-1-yl)oxoacetic acid
CID 16110264
Acetic acid 2-(4-phenyl-piperidin-1-yl)-ethyl ester
CID 15925891
1-(2-Acetoxy-ethyl)-1-methyl-4-phenyl-piperidinium
CID 15925894
Oxalic acid;1-(2-phenylpropyl)piperidine
CID 23724331
N-benzyl-N-methylglycine
CID 301761
Ethyl 2-(4-phenylpiperidino)acetate
CID 3829780

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclohexyl-3-phenylpropyl)-methylamino]acetic acid?
The IUPAC name of 2-[(3-cyclohexyl-3-phenylpropyl)-methylamino]acetic acid (CID 21019852) is 2-[(3-cyclohexyl-3-phenylpropyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(3-cyclohexyl-3-phenylpropyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(3-cyclohexyl-3-phenylpropyl)-methylamino]acetic acid is CN(CCC(c1ccccc1)C1CCCCC1)CC(=O)O.
What is the InChIKey of 2-[(3-cyclohexyl-3-phenylpropyl)-methylamino]acetic acid?
The InChIKey is SPLLZAPYVYULBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-19(14-18(20)21)13-12-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2,4-5,8-9,16-17H,3,6-7,10-14H2,1H3,(H,20,21).
What are the key properties of 2-[(3-cyclohexyl-3-phenylpropyl)-methylamino]acetic acid?
2-[(3-cyclohexyl-3-phenylpropyl)-methylamino]acetic acid has a molecular weight of 289.42 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclohexyl-3-phenylpropyl)-methylamino]acetic acid is sourced from PubChem (CID 21019852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).