4-[(2-tert-butylcyclohexyl)-propan-2-ylamino]butanoic acid

C17H33NO2 — CID 65058866

IUPAC4-[(2-tert-butylcyclohexyl)-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C1CCCCC1C(C)(C)C
InChIInChI=1S/C17H33NO2/c1-13(2)18(12-8-11-16(19)20)15-10-7-6-9-14(15)17(3,4)5/h13-15H,6-12H2,1-5H3,(H,19,20)
InChIKeyTULFOSAATCBFTC-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.17
Rot. Bonds6

About 4-[(2-tert-butylcyclohexyl)-propan-2-ylamino]butanoic acid

4-[(2-tert-butylcyclohexyl)-propan-2-ylamino]butanoic acid (PubChem CID 65058866) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 4-[(2-tert-butylcyclohexyl)-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2-tert-butylcyclohexyl)-propan-2-ylamino]butanoic acid
PubChem CID65058866
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name4-[(2-tert-butylcyclohexyl)-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C1CCCCC1C(C)(C)C
InChIInChI=1S/C17H33NO2/c1-13(2)18(12-8-11-16(19)20)15-10-7-6-9-14(15)17(3,4)5/h13-15H,6-12H2,1-5H3,(H,19,20)
InChIKeyTULFOSAATCBFTC-UHFFFAOYSA-N
XLogP4.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-methylcyclopentyl)-propan-2-ylamino]butanoic acid
CID 65058593
4-[(2,2-dimethylcyclopentyl)-propan-2-ylamino]butanoic acid
CID 79863209
4-[(3-cyclopropylcyclohexyl)-propan-2-ylamino]butanoic acid
CID 65058774
4-[propan-2-yl-(3-propan-2-ylcyclobutyl)amino]butanoic acid
CID 103565080
4-[(1,1-dioxothian-3-yl)-propan-2-ylamino]butanoic acid
CID 65058631
4-[3-cyclopentylpropanoyl(propan-2-yl)amino]butanoic acid
CID 60830928
3-[(4,4-dimethylcycloheptyl)-propan-2-ylamino]propanoic acid
CID 65087705
4-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]butanoic acid
CID 65058588
trans-(1S,2S)-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol
CID 102732042
4-[1-cyclopentylethyl(methyl)amino]butanoic acid
CID 65068332
4-[[cyclopentylmethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 63655749
4-[methyl-(2-methylsulfonylcyclopentyl)amino]butanoic acid
CID 65068130

Frequently Asked Questions

What is the IUPAC name of 4-[(2-tert-butylcyclohexyl)-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(2-tert-butylcyclohexyl)-propan-2-ylamino]butanoic acid (CID 65058866) is 4-[(2-tert-butylcyclohexyl)-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(2-tert-butylcyclohexyl)-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(2-tert-butylcyclohexyl)-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)C1CCCCC1C(C)(C)C.
What is the InChIKey of 4-[(2-tert-butylcyclohexyl)-propan-2-ylamino]butanoic acid?
The InChIKey is TULFOSAATCBFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-13(2)18(12-8-11-16(19)20)15-10-7-6-9-14(15)17(3,4)5/h13-15H,6-12H2,1-5H3,(H,19,20).
What are the key properties of 4-[(2-tert-butylcyclohexyl)-propan-2-ylamino]butanoic acid?
4-[(2-tert-butylcyclohexyl)-propan-2-ylamino]butanoic acid has a molecular weight of 283.46 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-tert-butylcyclohexyl)-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 65058866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).