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

C14H26N2O3 — CID 64611864

IUPAC4-[2-[[2-(azetidin-3-yl)acetyl]amino]ethyl]-5-methylhexanoic acid
SMILESCC(C)C(CCNC(=O)CC1CNC1)CCC(=O)O
InChIInChI=1S/C14H26N2O3/c1-10(2)12(3-4-14(18)19)5-6-16-13(17)7-11-8-15-9-11/h10-12,15H,3-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyWGCLHFPTLPONJH-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.24
Rot. Bonds9

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

4-[2-[[2-(azetidin-3-yl)acetyl]amino]ethyl]-5-methylhexanoic acid (PubChem CID 64611864) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-[2-[[2-(azetidin-3-yl)acetyl]amino]ethyl]-5-methylhexanoic acid.

Molecular Properties

Compound Name4-[2-[[2-(azetidin-3-yl)acetyl]amino]ethyl]-5-methylhexanoic acid
PubChem CID64611864
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-[2-[[2-(azetidin-3-yl)acetyl]amino]ethyl]-5-methylhexanoic acid
SMILESCC(C)C(CCNC(=O)CC1CNC1)CCC(=O)O
InChIInChI=1S/C14H26N2O3/c1-10(2)12(3-4-14(18)19)5-6-16-13(17)7-11-8-15-9-11/h10-12,15H,3-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyWGCLHFPTLPONJH-UHFFFAOYSA-N
XLogP1.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.24
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-methylhexanoic acid?
The IUPAC name of 4-[2-[[2-(azetidin-3-yl)acetyl]amino]ethyl]-5-methylhexanoic acid (CID 64611864) is 4-[2-[[2-(azetidin-3-yl)acetyl]amino]ethyl]-5-methylhexanoic acid.
What is the SMILES notation for 4-[2-[[2-(azetidin-3-yl)acetyl]amino]ethyl]-5-methylhexanoic acid?
The canonical SMILES for 4-[2-[[2-(azetidin-3-yl)acetyl]amino]ethyl]-5-methylhexanoic acid is CC(C)C(CCNC(=O)CC1CNC1)CCC(=O)O.
What is the InChIKey of 4-[2-[[2-(azetidin-3-yl)acetyl]amino]ethyl]-5-methylhexanoic acid?
The InChIKey is WGCLHFPTLPONJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)12(3-4-14(18)19)5-6-16-13(17)7-11-8-15-9-11/h10-12,15H,3-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 4-[2-[[2-(azetidin-3-yl)acetyl]amino]ethyl]-5-methylhexanoic acid?
4-[2-[[2-(azetidin-3-yl)acetyl]amino]ethyl]-5-methylhexanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.24, 9 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-methylhexanoic acid is sourced from PubChem (CID 64611864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).