2-[3-(4-propylazepan-1-yl)azetidin-3-yl]acetic acid

C14H26N2O2 — CID 107141865

IUPAC2-[3-(4-propylazepan-1-yl)azetidin-3-yl]acetic acid
SMILESCCCC1CCCN(C2(CC(=O)O)CNC2)CC1
InChIInChI=1S/C14H26N2O2/c1-2-4-12-5-3-7-16(8-6-12)14(9-13(17)18)10-15-11-14/h12,15H,2-11H2,1H3,(H,17,18)
InChIKeyWABOOJZXWMPTJT-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.71
Rot. Bonds5

About 2-[3-(4-propylazepan-1-yl)azetidin-3-yl]acetic acid

2-[3-(4-propylazepan-1-yl)azetidin-3-yl]acetic acid (PubChem CID 107141865) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-[3-(4-propylazepan-1-yl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-propylazepan-1-yl)azetidin-3-yl]acetic acid
PubChem CID107141865
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-[3-(4-propylazepan-1-yl)azetidin-3-yl]acetic acid
SMILESCCCC1CCCN(C2(CC(=O)O)CNC2)CC1
InChIInChI=1S/C14H26N2O2/c1-2-4-12-5-3-7-16(8-6-12)14(9-13(17)18)10-15-11-14/h12,15H,2-11H2,1H3,(H,17,18)
InChIKeyWABOOJZXWMPTJT-UHFFFAOYSA-N
XLogP1.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(azepan-1-yl)azetidin-3-yl]acetic acid
CID 107141430
2-[3-[3-(methoxymethyl)piperidin-1-yl]azetidin-3-yl]acetic acid
CID 107143244
2-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-3-yl]acetic acid
CID 107141559
2-[3-[4-(trifluoromethyl)piperidin-1-yl]azetidin-3-yl]acetic acid
CID 107141882
2-[3-[3-(aminomethyl)pyrrolidin-1-yl]azetidin-3-yl]acetic acid
CID 107141762
2-[3-(4-methylpiperazin-1-yl)azetidin-3-yl]acetic acid
CID 107141424
2-(1-morpholin-4-yl-4-propylcyclohexyl)acetic acid
CID 64529304
2-[3-(3,3-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid
CID 107141855
2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)azetidin-3-yl]acetic acid
CID 107141922
[3-methyl-1-(4-propylazepan-1-yl)cyclobutyl]methanamine
CID 103562947
2-(3-ethyl-1-piperidin-1-ylcyclohexyl)acetic acid
CID 64526836
2-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]acetic acid
CID 107141899

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-propylazepan-1-yl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(4-propylazepan-1-yl)azetidin-3-yl]acetic acid (CID 107141865) is 2-[3-(4-propylazepan-1-yl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-propylazepan-1-yl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(4-propylazepan-1-yl)azetidin-3-yl]acetic acid is CCCC1CCCN(C2(CC(=O)O)CNC2)CC1.
What is the InChIKey of 2-[3-(4-propylazepan-1-yl)azetidin-3-yl]acetic acid?
The InChIKey is WABOOJZXWMPTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-4-12-5-3-7-16(8-6-12)14(9-13(17)18)10-15-11-14/h12,15H,2-11H2,1H3,(H,17,18).
What are the key properties of 2-[3-(4-propylazepan-1-yl)azetidin-3-yl]acetic acid?
2-[3-(4-propylazepan-1-yl)azetidin-3-yl]acetic acid has a molecular weight of 254.37 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-propylazepan-1-yl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 107141865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).