2-[3-[(4-hydroxycyclohexyl)methylamino]azetidin-3-yl]acetic acid

C12H22N2O3 — CID 106137098

IUPAC2-[3-[(4-hydroxycyclohexyl)methylamino]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(NCC2CCC(O)CC2)CNC1
InChIInChI=1S/C12H22N2O3/c15-10-3-1-9(2-4-10)6-14-12(5-11(16)17)7-13-8-12/h9-10,13-15H,1-8H2,(H,16,17)
InChIKeySIAGVVOSVSZJJO-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.06
Rot. Bonds5

About 2-[3-[(4-hydroxycyclohexyl)methylamino]azetidin-3-yl]acetic acid

2-[3-[(4-hydroxycyclohexyl)methylamino]azetidin-3-yl]acetic acid (PubChem CID 106137098) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[3-[(4-hydroxycyclohexyl)methylamino]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(4-hydroxycyclohexyl)methylamino]azetidin-3-yl]acetic acid
PubChem CID106137098
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[3-[(4-hydroxycyclohexyl)methylamino]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(NCC2CCC(O)CC2)CNC1
InChIInChI=1S/C12H22N2O3/c15-10-3-1-9(2-4-10)6-14-12(5-11(16)17)7-13-8-12/h9-10,13-15H,1-8H2,(H,16,17)
InChIKeySIAGVVOSVSZJJO-UHFFFAOYSA-N
XLogP-0.06
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(1-methylpiperidin-3-yl)methylamino]azetidin-3-yl]acetic acid
CID 107142490
2-[3-(thian-2-ylmethylamino)azetidin-3-yl]acetic acid
CID 107142886
2-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]azetidin-3-yl]acetic acid
CID 107142855
2-[3-(4-methoxybutylamino)azetidin-3-yl]acetic acid
CID 107142488
2-[3-(2-ethylsulfinylethylamino)azetidin-3-yl]acetic acid
CID 107143147
2-[3-[2-(dimethylamino)ethylamino]azetidin-3-yl]acetic acid
CID 107142240
2-[3-[(2-methyloxolan-3-yl)amino]azetidin-3-yl]acetic acid
CID 107142991
2-[3-(oxan-4-ylamino)azetidin-3-yl]acetic acid
CID 107142370
2-[3-(thian-4-ylamino)azetidin-3-yl]acetic acid
CID 107143163
2-[3-[(1-hydroxycyclohexyl)methylamino]azetidin-3-yl]acetic acid
CID 107142761
2-[3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]azetidin-3-yl]acetic acid
CID 107143228
2-[3-[[3-(dimethylamino)-3-oxopropyl]amino]azetidin-3-yl]acetic acid
CID 107142498

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-hydroxycyclohexyl)methylamino]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[(4-hydroxycyclohexyl)methylamino]azetidin-3-yl]acetic acid (CID 106137098) is 2-[3-[(4-hydroxycyclohexyl)methylamino]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[(4-hydroxycyclohexyl)methylamino]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[(4-hydroxycyclohexyl)methylamino]azetidin-3-yl]acetic acid is O=C(O)CC1(NCC2CCC(O)CC2)CNC1.
What is the InChIKey of 2-[3-[(4-hydroxycyclohexyl)methylamino]azetidin-3-yl]acetic acid?
The InChIKey is SIAGVVOSVSZJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c15-10-3-1-9(2-4-10)6-14-12(5-11(16)17)7-13-8-12/h9-10,13-15H,1-8H2,(H,16,17).
What are the key properties of 2-[3-[(4-hydroxycyclohexyl)methylamino]azetidin-3-yl]acetic acid?
2-[3-[(4-hydroxycyclohexyl)methylamino]azetidin-3-yl]acetic acid has a molecular weight of 242.32 g/mol, XLogP of -0.06, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-hydroxycyclohexyl)methylamino]azetidin-3-yl]acetic acid is sourced from PubChem (CID 106137098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).