4-[2-[(2-cyclobutylacetyl)amino]ethyl]-5,5-dimethylhexanoic acid

C16H29NO3 — CID 103161959

IUPAC4-[2-[(2-cyclobutylacetyl)amino]ethyl]-5,5-dimethylhexanoic acid
SMILESCC(C)(C)C(CCNC(=O)CC1CCC1)CCC(=O)O
InChIInChI=1S/C16H29NO3/c1-16(2,3)13(7-8-15(19)20)9-10-17-14(18)11-12-5-4-6-12/h12-13H,4-11H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyHAADIIPVEKIWIC-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.21
Rot. Bonds8

About 4-[2-[(2-cyclobutylacetyl)amino]ethyl]-5,5-dimethylhexanoic acid

4-[2-[(2-cyclobutylacetyl)amino]ethyl]-5,5-dimethylhexanoic acid (PubChem CID 103161959) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 4-[2-[(2-cyclobutylacetyl)amino]ethyl]-5,5-dimethylhexanoic acid.

Molecular Properties

Compound Name4-[2-[(2-cyclobutylacetyl)amino]ethyl]-5,5-dimethylhexanoic acid
PubChem CID103161959
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name4-[2-[(2-cyclobutylacetyl)amino]ethyl]-5,5-dimethylhexanoic acid
SMILESCC(C)(C)C(CCNC(=O)CC1CCC1)CCC(=O)O
InChIInChI=1S/C16H29NO3/c1-16(2,3)13(7-8-15(19)20)9-10-17-14(18)11-12-5-4-6-12/h12-13H,4-11H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyHAADIIPVEKIWIC-UHFFFAOYSA-N
XLogP3.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-cyclobutylacetyl)amino]ethyl]-5,5-dimethylhexanoic acid?
The IUPAC name of 4-[2-[(2-cyclobutylacetyl)amino]ethyl]-5,5-dimethylhexanoic acid (CID 103161959) is 4-[2-[(2-cyclobutylacetyl)amino]ethyl]-5,5-dimethylhexanoic acid.
What is the SMILES notation for 4-[2-[(2-cyclobutylacetyl)amino]ethyl]-5,5-dimethylhexanoic acid?
The canonical SMILES for 4-[2-[(2-cyclobutylacetyl)amino]ethyl]-5,5-dimethylhexanoic acid is CC(C)(C)C(CCNC(=O)CC1CCC1)CCC(=O)O.
What is the InChIKey of 4-[2-[(2-cyclobutylacetyl)amino]ethyl]-5,5-dimethylhexanoic acid?
The InChIKey is HAADIIPVEKIWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-16(2,3)13(7-8-15(19)20)9-10-17-14(18)11-12-5-4-6-12/h12-13H,4-11H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 4-[2-[(2-cyclobutylacetyl)amino]ethyl]-5,5-dimethylhexanoic acid?
4-[2-[(2-cyclobutylacetyl)amino]ethyl]-5,5-dimethylhexanoic acid has a molecular weight of 283.41 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-cyclobutylacetyl)amino]ethyl]-5,5-dimethylhexanoic acid is sourced from PubChem (CID 103161959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).