2-[3-[cyclopentyl(methyl)amino]azetidin-3-yl]acetic acid

C11H20N2O2 — CID 107141497

IUPAC2-[3-[cyclopentyl(methyl)amino]azetidin-3-yl]acetic acid
SMILESCN(C1CCCC1)C1(CC(=O)O)CNC1
InChIInChI=1S/C11H20N2O2/c1-13(9-4-2-3-5-9)11(6-10(14)15)7-12-8-11/h9,12H,2-8H2,1H3,(H,14,15)
InChIKeyYZJFKICOJOVECE-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.68
Rot. Bonds4

About 2-[3-[cyclopentyl(methyl)amino]azetidin-3-yl]acetic acid

2-[3-[cyclopentyl(methyl)amino]azetidin-3-yl]acetic acid (PubChem CID 107141497) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-[3-[cyclopentyl(methyl)amino]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[cyclopentyl(methyl)amino]azetidin-3-yl]acetic acid
PubChem CID107141497
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-[3-[cyclopentyl(methyl)amino]azetidin-3-yl]acetic acid
SMILESCN(C1CCCC1)C1(CC(=O)O)CNC1
InChIInChI=1S/C11H20N2O2/c1-13(9-4-2-3-5-9)11(6-10(14)15)7-12-8-11/h9,12H,2-8H2,1H3,(H,14,15)
InChIKeyYZJFKICOJOVECE-UHFFFAOYSA-N
XLogP0.68
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4-ethylcycloheptyl)-methylamino]cyclohexyl]acetic acid
CID 65243102
2-[1-[(4,4-dimethylcyclohexyl)-methylamino]cyclohexyl]acetic acid
CID 65241075
2-[1-[methyl-(1-methylazepan-4-yl)amino]cyclohexyl]acetic acid
CID 65242910
2-[3-[(2-amino-2-oxoethyl)-methylamino]azetidin-3-yl]acetic acid
CID 107141523
2-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-3-yl]acetic acid
CID 107141559
2-[3-[2-(cyclopropylmethoxy)ethyl-methylamino]azetidin-3-yl]acetic acid
CID 107141931
2-[1-[(1,1-dioxothian-3-yl)-methylamino]cyclohexyl]acetic acid
CID 65243200
2-[3-(dipropylamino)azetidin-3-yl]acetic acid
CID 107141441
2-[3-[ethyl(2,2,2-trifluoroethyl)amino]azetidin-3-yl]acetic acid
CID 107141742
2-[1-[[cyclopropyl(ethyl)carbamoyl]-methylamino]cyclohexyl]acetic acid
CID 65240704
2-[3-[bis(3-methylbutyl)amino]azetidin-3-yl]acetic acid
CID 107870310
2-[3-[ethyl(2-methylpropyl)amino]azetidin-3-yl]acetic acid
CID 107141511

Frequently Asked Questions

What is the IUPAC name of 2-[3-[cyclopentyl(methyl)amino]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[cyclopentyl(methyl)amino]azetidin-3-yl]acetic acid (CID 107141497) is 2-[3-[cyclopentyl(methyl)amino]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[cyclopentyl(methyl)amino]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[cyclopentyl(methyl)amino]azetidin-3-yl]acetic acid is CN(C1CCCC1)C1(CC(=O)O)CNC1.
What is the InChIKey of 2-[3-[cyclopentyl(methyl)amino]azetidin-3-yl]acetic acid?
The InChIKey is YZJFKICOJOVECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-13(9-4-2-3-5-9)11(6-10(14)15)7-12-8-11/h9,12H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-[3-[cyclopentyl(methyl)amino]azetidin-3-yl]acetic acid?
2-[3-[cyclopentyl(methyl)amino]azetidin-3-yl]acetic acid has a molecular weight of 212.29 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[cyclopentyl(methyl)amino]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107141497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).