2-[3-[(1-methylpiperidin-3-yl)methylamino]azetidin-3-yl]acetic acid

C12H23N3O2 — CID 107142490

IUPAC2-[3-[(1-methylpiperidin-3-yl)methylamino]azetidin-3-yl]acetic acid
SMILESCN1CCCC(CNC2(CC(=O)O)CNC2)C1
InChIInChI=1S/C12H23N3O2/c1-15-4-2-3-10(7-15)6-14-12(5-11(16)17)8-13-9-12/h10,13-14H,2-9H2,1H3,(H,16,17)
InChIKeyHTXHKTNWXWVKHC-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.27
Rot. Bonds5

About 2-[3-[(1-methylpiperidin-3-yl)methylamino]azetidin-3-yl]acetic acid

2-[3-[(1-methylpiperidin-3-yl)methylamino]azetidin-3-yl]acetic acid (PubChem CID 107142490) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[3-[(1-methylpiperidin-3-yl)methylamino]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(1-methylpiperidin-3-yl)methylamino]azetidin-3-yl]acetic acid
PubChem CID107142490
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-[3-[(1-methylpiperidin-3-yl)methylamino]azetidin-3-yl]acetic acid
SMILESCN1CCCC(CNC2(CC(=O)O)CNC2)C1
InChIInChI=1S/C12H23N3O2/c1-15-4-2-3-10(7-15)6-14-12(5-11(16)17)8-13-9-12/h10,13-14H,2-9H2,1H3,(H,16,17)
InChIKeyHTXHKTNWXWVKHC-UHFFFAOYSA-N
XLogP-0.27
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(4-hydroxycyclohexyl)methylamino]azetidin-3-yl]acetic acid
CID 106137098
1-[(1-methylpiperidin-3-yl)methylamino]cyclopentane-1-carboxylic acid
CID 115000516
1-[(1-methylpiperidin-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 55035175
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
2-[3-(thian-2-ylmethylamino)azetidin-3-yl]acetic acid
CID 107142886
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
2-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]azetidin-3-yl]acetic acid
CID 107143014
2-methyl-2-[(1-methylpiperidin-3-yl)methylamino]propanoic acid
CID 114999324
2-[1-[(1-methylpiperidin-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid
CID 79612545
2-[1-(methylamino)cyclohexyl]-N-[(1-methylpiperidin-3-yl)methyl]acetamide
CID 65242512
3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]-4-oxobutanoic acid
CID 115164613
2-[3-(cyclobutylamino)azetidin-3-yl]acetic acid
CID 107142652

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-methylpiperidin-3-yl)methylamino]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[(1-methylpiperidin-3-yl)methylamino]azetidin-3-yl]acetic acid (CID 107142490) is 2-[3-[(1-methylpiperidin-3-yl)methylamino]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[(1-methylpiperidin-3-yl)methylamino]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[(1-methylpiperidin-3-yl)methylamino]azetidin-3-yl]acetic acid is CN1CCCC(CNC2(CC(=O)O)CNC2)C1.
What is the InChIKey of 2-[3-[(1-methylpiperidin-3-yl)methylamino]azetidin-3-yl]acetic acid?
The InChIKey is HTXHKTNWXWVKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-15-4-2-3-10(7-15)6-14-12(5-11(16)17)8-13-9-12/h10,13-14H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-[3-[(1-methylpiperidin-3-yl)methylamino]azetidin-3-yl]acetic acid?
2-[3-[(1-methylpiperidin-3-yl)methylamino]azetidin-3-yl]acetic acid has a molecular weight of 241.33 g/mol, XLogP of -0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-methylpiperidin-3-yl)methylamino]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107142490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).