4-[2-[[2-(azetidin-3-yl)acetyl]amino]ethyl]-5,5-dimethylhexanoic acid

C15H28N2O3 — CID 64612066

IUPAC4-[2-[[2-(azetidin-3-yl)acetyl]amino]ethyl]-5,5-dimethylhexanoic acid
SMILESCC(C)(C)C(CCNC(=O)CC1CNC1)CCC(=O)O
InChIInChI=1S/C15H28N2O3/c1-15(2,3)12(4-5-14(19)20)6-7-17-13(18)8-11-9-16-10-11/h11-12,16H,4-10H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyFFJLVWBZLMXFEO-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.63
Rot. Bonds8

About 4-[2-[[2-(azetidin-3-yl)acetyl]amino]ethyl]-5,5-dimethylhexanoic acid

4-[2-[[2-(azetidin-3-yl)acetyl]amino]ethyl]-5,5-dimethylhexanoic acid (PubChem CID 64612066) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-[2-[[2-(azetidin-3-yl)acetyl]amino]ethyl]-5,5-dimethylhexanoic acid.

Molecular Properties

Compound Name4-[2-[[2-(azetidin-3-yl)acetyl]amino]ethyl]-5,5-dimethylhexanoic acid
PubChem CID64612066
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name4-[2-[[2-(azetidin-3-yl)acetyl]amino]ethyl]-5,5-dimethylhexanoic acid
SMILESCC(C)(C)C(CCNC(=O)CC1CNC1)CCC(=O)O
InChIInChI=1S/C15H28N2O3/c1-15(2,3)12(4-5-14(19)20)6-7-17-13(18)8-11-9-16-10-11/h11-12,16H,4-10H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyFFJLVWBZLMXFEO-UHFFFAOYSA-N
XLogP1.63
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(azetidin-3-yl)acetyl]amino]ethyl]-5,5-dimethylhexanoic acid?
The IUPAC name of 4-[2-[[2-(azetidin-3-yl)acetyl]amino]ethyl]-5,5-dimethylhexanoic acid (CID 64612066) is 4-[2-[[2-(azetidin-3-yl)acetyl]amino]ethyl]-5,5-dimethylhexanoic acid.
What is the SMILES notation for 4-[2-[[2-(azetidin-3-yl)acetyl]amino]ethyl]-5,5-dimethylhexanoic acid?
The canonical SMILES for 4-[2-[[2-(azetidin-3-yl)acetyl]amino]ethyl]-5,5-dimethylhexanoic acid is CC(C)(C)C(CCNC(=O)CC1CNC1)CCC(=O)O.
What is the InChIKey of 4-[2-[[2-(azetidin-3-yl)acetyl]amino]ethyl]-5,5-dimethylhexanoic acid?
The InChIKey is FFJLVWBZLMXFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-15(2,3)12(4-5-14(19)20)6-7-17-13(18)8-11-9-16-10-11/h11-12,16H,4-10H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 4-[2-[[2-(azetidin-3-yl)acetyl]amino]ethyl]-5,5-dimethylhexanoic acid?
4-[2-[[2-(azetidin-3-yl)acetyl]amino]ethyl]-5,5-dimethylhexanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.63, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(azetidin-3-yl)acetyl]amino]ethyl]-5,5-dimethylhexanoic acid is sourced from PubChem (CID 64612066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).