2-[3-methyl-1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]oxyacetic acid

C12H21N3O5 — CID 106917169

IUPAC2-[3-methyl-1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]oxyacetic acid
SMILESCNC(=O)CCN(C)C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C12H21N3O5/c1-12(20-6-10(17)18)7-15(8-12)11(19)14(3)5-4-9(16)13-2/h4-8H2,1-3H3,(H,13,16)(H,17,18)
InChIKeyXKPOIBOIWDRBHT-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.65
Rot. Bonds6

About 2-[3-methyl-1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]oxyacetic acid

2-[3-methyl-1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]oxyacetic acid (PubChem CID 106917169) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[3-methyl-1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]oxyacetic acid
PubChem CID106917169
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name2-[3-methyl-1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]oxyacetic acid
SMILESCNC(=O)CCN(C)C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C12H21N3O5/c1-12(20-6-10(17)18)7-15(8-12)11(19)14(3)5-4-9(16)13-2/h4-8H2,1-3H3,(H,13,16)(H,17,18)
InChIKeyXKPOIBOIWDRBHT-UHFFFAOYSA-N
XLogP-0.65
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-ethoxyethyl(methyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659048
2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]acetic acid
CID 106917190
2-[1-[bis(2-methylpropyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658652
2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]acetic acid
CID 106917160
2-[1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658695
2-[1-[cyclopropyl(2-methoxyethyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658697
1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984113
2-[1-(3,4-dihydroxypyrrolidine-1-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 106670657
2-[1-[(2-amino-2-oxoethyl)-butylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658780
2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658788
2-[4-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 106917007
2-[3-methyl-1-(2-methylsulfinylpropylcarbamoyl)azetidin-3-yl]oxyacetic acid
CID 102659149

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]oxyacetic acid (CID 106917169) is 2-[3-methyl-1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]oxyacetic acid is CNC(=O)CCN(C)C(=O)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[3-methyl-1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]oxyacetic acid?
The InChIKey is XKPOIBOIWDRBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-12(20-6-10(17)18)7-15(8-12)11(19)14(3)5-4-9(16)13-2/h4-8H2,1-3H3,(H,13,16)(H,17,18).
What are the key properties of 2-[3-methyl-1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]oxyacetic acid has a molecular weight of 287.32 g/mol, XLogP of -0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 106917169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).