1-[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]cyclobutane-1-carboxylic acid

C15H28N2O3 — CID 81162326

IUPAC1-[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]cyclobutane-1-carboxylic acid
SMILESCC(C)(C)C(CCN)CCC(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C15H28N2O3/c1-14(2,3)11(7-10-16)5-6-12(18)17-15(13(19)20)8-4-9-15/h11H,4-10,16H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyFYHCXTOMSFMPAN-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.90
Rot. Bonds7

About 1-[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]cyclobutane-1-carboxylic acid

1-[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 81162326) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]cyclobutane-1-carboxylic acid
PubChem CID81162326
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]cyclobutane-1-carboxylic acid
SMILESCC(C)(C)C(CCN)CCC(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C15H28N2O3/c1-14(2,3)11(7-10-16)5-6-12(18)17-15(13(19)20)8-4-9-15/h11H,4-10,16H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyFYHCXTOMSFMPAN-UHFFFAOYSA-N
XLogP1.90
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]cyclobutane-1-carboxylic acid (CID 81162326) is 1-[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]cyclobutane-1-carboxylic acid is CC(C)(C)C(CCN)CCC(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is FYHCXTOMSFMPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-14(2,3)11(7-10-16)5-6-12(18)17-15(13(19)20)8-4-9-15/h11H,4-10,16H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 1-[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]cyclobutane-1-carboxylic acid?
1-[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81162326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).