4-[propan-2-yl-(3-propan-2-ylcyclobutyl)amino]butanoic acid

C14H27NO2 — CID 103565080

IUPAC4-[propan-2-yl-(3-propan-2-ylcyclobutyl)amino]butanoic acid
SMILESCC(C)C1CC(N(CCCC(=O)O)C(C)C)C1
InChIInChI=1S/C14H27NO2/c1-10(2)12-8-13(9-12)15(11(3)4)7-5-6-14(16)17/h10-13H,5-9H2,1-4H3,(H,16,17)
InChIKeyQYTAICNROIWYIG-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.00
Rot. Bonds7

About 4-[propan-2-yl-(3-propan-2-ylcyclobutyl)amino]butanoic acid

4-[propan-2-yl-(3-propan-2-ylcyclobutyl)amino]butanoic acid (PubChem CID 103565080) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-[propan-2-yl-(3-propan-2-ylcyclobutyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[propan-2-yl-(3-propan-2-ylcyclobutyl)amino]butanoic acid
PubChem CID103565080
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-[propan-2-yl-(3-propan-2-ylcyclobutyl)amino]butanoic acid
SMILESCC(C)C1CC(N(CCCC(=O)O)C(C)C)C1
InChIInChI=1S/C14H27NO2/c1-10(2)12-8-13(9-12)15(11(3)4)7-5-6-14(16)17/h10-13H,5-9H2,1-4H3,(H,16,17)
InChIKeyQYTAICNROIWYIG-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-cyclopropylcyclohexyl)-propan-2-ylamino]butanoic acid
CID 65058774
4-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]butanoic acid
CID 65058588
4-[(1,1-dioxothian-3-yl)-propan-2-ylamino]butanoic acid
CID 65058631
4-[(2-methylcyclopentyl)-propan-2-ylamino]butanoic acid
CID 65058593
4-[(2,2-dimethylcyclopentyl)-propan-2-ylamino]butanoic acid
CID 79863209
4-[(2-tert-butylcyclohexyl)-propan-2-ylamino]butanoic acid
CID 65058866
4-(3-propan-2-ylazetidin-1-yl)butanoic acid
CID 79687036
3-[(1-methylsulfonylpiperidin-4-yl)-propan-2-ylamino]propanoic acid
CID 114239173
3-[(4,4-dimethylcycloheptyl)-propan-2-ylamino]propanoic acid
CID 65087705
4-[ethyl(propan-2-yl)amino]butanoic acid
CID 21027684
3-[(3,3-dimethylcyclopentyl)-propan-2-ylamino]propanoic acid
CID 80698919
3-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid
CID 65056765

Frequently Asked Questions

What is the IUPAC name of 4-[propan-2-yl-(3-propan-2-ylcyclobutyl)amino]butanoic acid?
The IUPAC name of 4-[propan-2-yl-(3-propan-2-ylcyclobutyl)amino]butanoic acid (CID 103565080) is 4-[propan-2-yl-(3-propan-2-ylcyclobutyl)amino]butanoic acid.
What is the SMILES notation for 4-[propan-2-yl-(3-propan-2-ylcyclobutyl)amino]butanoic acid?
The canonical SMILES for 4-[propan-2-yl-(3-propan-2-ylcyclobutyl)amino]butanoic acid is CC(C)C1CC(N(CCCC(=O)O)C(C)C)C1.
What is the InChIKey of 4-[propan-2-yl-(3-propan-2-ylcyclobutyl)amino]butanoic acid?
The InChIKey is QYTAICNROIWYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-10(2)12-8-13(9-12)15(11(3)4)7-5-6-14(16)17/h10-13H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 4-[propan-2-yl-(3-propan-2-ylcyclobutyl)amino]butanoic acid?
4-[propan-2-yl-(3-propan-2-ylcyclobutyl)amino]butanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propan-2-yl-(3-propan-2-ylcyclobutyl)amino]butanoic acid is sourced from PubChem (CID 103565080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).