5-phenyl-4-[(3,3,5-trimethylcyclohexyl)amino]pentanoic acid

C20H31NO2 — CID 122046069

IUPAC5-phenyl-4-[(3,3,5-trimethylcyclohexyl)amino]pentanoic acid
SMILESCC1CC(NC(CCC(=O)O)Cc2ccccc2)CC(C)(C)C1
InChIInChI=1S/C20H31NO2/c1-15-11-18(14-20(2,3)13-15)21-17(9-10-19(22)23)12-16-7-5-4-6-8-16/h4-8,15,17-18,21H,9-14H2,1-3H3,(H,22,23)
InChIKeyBJOXMNUVQILDJZ-UHFFFAOYSA-N
MW317.47 g/mol
LogP4.27
Rot. Bonds7

About 5-phenyl-4-[(3,3,5-trimethylcyclohexyl)amino]pentanoic acid

5-phenyl-4-[(3,3,5-trimethylcyclohexyl)amino]pentanoic acid (PubChem CID 122046069) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is 5-phenyl-4-[(3,3,5-trimethylcyclohexyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-phenyl-4-[(3,3,5-trimethylcyclohexyl)amino]pentanoic acid
PubChem CID122046069
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Name5-phenyl-4-[(3,3,5-trimethylcyclohexyl)amino]pentanoic acid
SMILESCC1CC(NC(CCC(=O)O)Cc2ccccc2)CC(C)(C)C1
InChIInChI=1S/C20H31NO2/c1-15-11-18(14-20(2,3)13-15)21-17(9-10-19(22)23)12-16-7-5-4-6-8-16/h4-8,15,17-18,21H,9-14H2,1-3H3,(H,22,23)
InChIKeyBJOXMNUVQILDJZ-UHFFFAOYSA-N
XLogP4.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclooctylamino)-5-phenylpentanoic acid
CID 122046085
4-[(4-ethoxycarbonyl-3-methylcyclohexyl)amino]-5-phenylpentanoic acid
CID 122045950
4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 120728792
4-[(1-benzylpiperidin-4-yl)amino]-5-phenylpentanoic acid
CID 122046074
3-(1,4-diphenylbutan-2-ylamino)-1-methylcyclobutane-1-carboxylic acid
CID 166275225
4-[(4-methylazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027118
(2R)-2-phenyl-2-[(3,3,5-trimethylcyclohexyl)amino]ethanol
CID 103788694
3,5-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine
CID 79008421
5-phenyl-4-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid
CID 122028048
3-phenyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol
CID 115998927
4-[(4,4-difluoro-3-methylpiperidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027602
(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid
CID 155468055

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-[(3,3,5-trimethylcyclohexyl)amino]pentanoic acid?
The IUPAC name of 5-phenyl-4-[(3,3,5-trimethylcyclohexyl)amino]pentanoic acid (CID 122046069) is 5-phenyl-4-[(3,3,5-trimethylcyclohexyl)amino]pentanoic acid.
What is the SMILES notation for 5-phenyl-4-[(3,3,5-trimethylcyclohexyl)amino]pentanoic acid?
The canonical SMILES for 5-phenyl-4-[(3,3,5-trimethylcyclohexyl)amino]pentanoic acid is CC1CC(NC(CCC(=O)O)Cc2ccccc2)CC(C)(C)C1.
What is the InChIKey of 5-phenyl-4-[(3,3,5-trimethylcyclohexyl)amino]pentanoic acid?
The InChIKey is BJOXMNUVQILDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c1-15-11-18(14-20(2,3)13-15)21-17(9-10-19(22)23)12-16-7-5-4-6-8-16/h4-8,15,17-18,21H,9-14H2,1-3H3,(H,22,23).
What are the key properties of 5-phenyl-4-[(3,3,5-trimethylcyclohexyl)amino]pentanoic acid?
5-phenyl-4-[(3,3,5-trimethylcyclohexyl)amino]pentanoic acid has a molecular weight of 317.47 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-[(3,3,5-trimethylcyclohexyl)amino]pentanoic acid is sourced from PubChem (CID 122046069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).