2-[1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid

C13H23N3O5 — CID 102658695

IUPAC2-[1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCCN(CC(=O)N(C)C)C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C13H23N3O5/c1-5-15(6-10(17)14(3)4)12(20)16-8-13(2,9-16)21-7-11(18)19/h5-9H2,1-4H3,(H,18,19)
InChIKeyFXQGRGSUMUPIKI-UHFFFAOYSA-N
MW301.34 g/mol
LogP-0.31
Rot. Bonds6

About 2-[1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid

2-[1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102658695) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102658695
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name2-[1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCCN(CC(=O)N(C)C)C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C13H23N3O5/c1-5-15(6-10(17)14(3)4)12(20)16-8-13(2,9-16)21-7-11(18)19/h5-9H2,1-4H3,(H,18,19)
InChIKeyFXQGRGSUMUPIKI-UHFFFAOYSA-N
XLogP-0.31
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658788
2-[1-[ethyl(2-methoxyethyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658693
2-[1-[bis(2-methylpropyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658652
2-[1-[2-ethoxyethyl(methyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659048
2-[1-[(2-amino-2-oxoethyl)-butylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658780
1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136352
2-[3-methyl-1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]oxyacetic acid
CID 106917169
2-[1-[1-(dimethylcarbamoyl)piperidin-4-yl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659924
2-[3-methyl-1-[methyl(piperidin-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid
CID 102658660
N-[2-(dimethylamino)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide
CID 54948205
2-[1-[1-(diethylamino)propan-2-ylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658836
2-[3-methyl-1-(3-propoxypropanoyl)azetidin-3-yl]oxyacetic acid
CID 102657646

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid (CID 102658695) is 2-[1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid is CCN(CC(=O)N(C)C)C(=O)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is FXQGRGSUMUPIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-5-15(6-10(17)14(3)4)12(20)16-8-13(2,9-16)21-7-11(18)19/h5-9H2,1-4H3,(H,18,19).
What are the key properties of 2-[1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 301.34 g/mol, XLogP of -0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102658695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).