2-[1-(2,6-dimethylheptan-4-yl)azetidin-3-yl]acetic acid

C14H27NO2 — CID 114866965

IUPAC2-[1-(2,6-dimethylheptan-4-yl)azetidin-3-yl]acetic acid
SMILESCC(C)CC(CC(C)C)N1CC(CC(=O)O)C1
InChIInChI=1S/C14H27NO2/c1-10(2)5-13(6-11(3)4)15-8-12(9-15)7-14(16)17/h10-13H,5-9H2,1-4H3,(H,16,17)
InChIKeyPXSYHFXUVPWGQA-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.85
Rot. Bonds7

About 2-[1-(2,6-dimethylheptan-4-yl)azetidin-3-yl]acetic acid

2-[1-(2,6-dimethylheptan-4-yl)azetidin-3-yl]acetic acid (PubChem CID 114866965) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[1-(2,6-dimethylheptan-4-yl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,6-dimethylheptan-4-yl)azetidin-3-yl]acetic acid
PubChem CID114866965
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[1-(2,6-dimethylheptan-4-yl)azetidin-3-yl]acetic acid
SMILESCC(C)CC(CC(C)C)N1CC(CC(=O)O)C1
InChIInChI=1S/C14H27NO2/c1-10(2)5-13(6-11(3)4)15-8-12(9-15)7-14(16)17/h10-13H,5-9H2,1-4H3,(H,16,17)
InChIKeyPXSYHFXUVPWGQA-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-but-3-en-2-ylazetidin-3-yl)acetic acid
CID 64618131
2-[1-(1-methoxypropan-2-yl)azetidin-3-yl]acetic acid
CID 64616494
2-(1-methylsulfinylazetidin-3-yl)acetic acid
CID 127015602
2-(1-octan-2-ylazetidin-3-yl)acetic acid
CID 65069289
2-[1-(4-methylpentanoyl)azetidin-3-yl]acetic acid
CID 64605561
2-[1-(3-methyl-1-phenylbutyl)piperidin-3-yl]acetic acid
CID 65059897
2-[1-[1-(2-hydroxyphenyl)ethyl]azetidin-3-yl]acetic acid
CID 65069827
2-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid
CID 83989664
6-methyl-4-pyrrolidin-1-ylheptanoic acid
CID 112517782
2-[1-[1-(2-methylphenyl)ethyl]azetidin-3-yl]acetic acid
CID 65069636
3-[1-(2,6-dimethylheptan-4-yl)piperidin-3-yl]butanoic acid
CID 114867007
6-methyl-4-piperidin-1-ylheptanoic acid
CID 112517978

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dimethylheptan-4-yl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2,6-dimethylheptan-4-yl)azetidin-3-yl]acetic acid (CID 114866965) is 2-[1-(2,6-dimethylheptan-4-yl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,6-dimethylheptan-4-yl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2,6-dimethylheptan-4-yl)azetidin-3-yl]acetic acid is CC(C)CC(CC(C)C)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(2,6-dimethylheptan-4-yl)azetidin-3-yl]acetic acid?
The InChIKey is PXSYHFXUVPWGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-10(2)5-13(6-11(3)4)15-8-12(9-15)7-14(16)17/h10-13H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 2-[1-(2,6-dimethylheptan-4-yl)azetidin-3-yl]acetic acid?
2-[1-(2,6-dimethylheptan-4-yl)azetidin-3-yl]acetic acid has a molecular weight of 241.37 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dimethylheptan-4-yl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 114866965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).