2-[1-[ethyl(2-methoxyethyl)carbamoyl]azetidin-3-yl]acetic acid

C11H20N2O4 — CID 64618832

IUPAC2-[1-[ethyl(2-methoxyethyl)carbamoyl]azetidin-3-yl]acetic acid
SMILESCCN(CCOC)C(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-3-12(4-5-17-2)11(16)13-7-9(8-13)6-10(14)15/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyCODCTXADNAKGJO-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.48
Rot. Bonds6

About 2-[1-[ethyl(2-methoxyethyl)carbamoyl]azetidin-3-yl]acetic acid

2-[1-[ethyl(2-methoxyethyl)carbamoyl]azetidin-3-yl]acetic acid (PubChem CID 64618832) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[1-[ethyl(2-methoxyethyl)carbamoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[ethyl(2-methoxyethyl)carbamoyl]azetidin-3-yl]acetic acid
PubChem CID64618832
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[1-[ethyl(2-methoxyethyl)carbamoyl]azetidin-3-yl]acetic acid
SMILESCCN(CCOC)C(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-3-12(4-5-17-2)11(16)13-7-9(8-13)6-10(14)15/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyCODCTXADNAKGJO-UHFFFAOYSA-N
XLogP0.48
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]azetidin-3-yl]acetic acid
CID 103103337
2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64617865
2-[4-[ethyl(2-methoxyethyl)carbamoyl]piperazin-1-yl]acetic acid
CID 61447579
2-[1-[ethyl(2-methoxyethyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658693
2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64617844
2-[1-[butan-2-yl(ethyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618614
3-[(3,4-dimethylpyrrolidine-1-carbonyl)-ethylamino]propanoic acid
CID 79181066
2-[1-[cyclohexyl(ethyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618408
3-ethyl-1-[ethyl(2-methoxyethyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 55165576
2-[1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683119
N,N-diethyl-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 115642604
3-(aminomethyl)-N,N-diethylazetidine-1-carboxamide
CID 79160798

Frequently Asked Questions

What is the IUPAC name of 2-[1-[ethyl(2-methoxyethyl)carbamoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[ethyl(2-methoxyethyl)carbamoyl]azetidin-3-yl]acetic acid (CID 64618832) is 2-[1-[ethyl(2-methoxyethyl)carbamoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[ethyl(2-methoxyethyl)carbamoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[ethyl(2-methoxyethyl)carbamoyl]azetidin-3-yl]acetic acid is CCN(CCOC)C(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[ethyl(2-methoxyethyl)carbamoyl]azetidin-3-yl]acetic acid?
The InChIKey is CODCTXADNAKGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-12(4-5-17-2)11(16)13-7-9(8-13)6-10(14)15/h9H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[1-[ethyl(2-methoxyethyl)carbamoyl]azetidin-3-yl]acetic acid?
2-[1-[ethyl(2-methoxyethyl)carbamoyl]azetidin-3-yl]acetic acid has a molecular weight of 244.29 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[ethyl(2-methoxyethyl)carbamoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64618832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).