2-[1-(1-methoxybutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid

C11H20N2O4 — CID 64616284

IUPAC2-[1-(1-methoxybutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid
SMILESCCC(COC)NC(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-3-9(7-17-2)12-11(16)13-5-8(6-13)4-10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyGWWQLXYMVWFEHC-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.53
Rot. Bonds6

About 2-[1-(1-methoxybutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid

2-[1-(1-methoxybutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid (PubChem CID 64616284) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[1-(1-methoxybutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-methoxybutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid
PubChem CID64616284
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[1-(1-methoxybutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid
SMILESCCC(COC)NC(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-3-9(7-17-2)12-11(16)13-5-8(6-13)4-10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyGWWQLXYMVWFEHC-UHFFFAOYSA-N
XLogP0.53
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(hex-1-yn-3-ylcarbamoyl)azetidin-3-yl]acetic acid
CID 106232396
2-[1-(1-cyclohexylpropylcarbamoyl)azetidin-3-yl]acetic acid
CID 64618276
2-[1-(3,3-dimethylbutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid
CID 104829196
2-[1-(1-cyclopropylethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64616011
(3aS,6aR)-2-(1-methoxybutan-2-ylcarbamoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122003092
3-(2-fluorophenoxy)-N-[(2R)-1-methoxybutan-2-yl]azetidine-1-carboxamide
CID 126441973
2-[1-(1-methoxypropan-2-yl)azetidin-3-yl]acetic acid
CID 64616494
N-(1-methoxypentan-2-yl)pyrrolidine-1-carboxamide
CID 116656284
2-[1-(2-ethylbutanoyl)azetidin-3-yl]acetic acid
CID 64604130
2-[1-[2-(ethylamino)acetyl]azetidin-3-yl]acetic acid
CID 64605625
N-(1-methoxybutan-2-yl)propanamide
CID 64590697
N-[(2R)-1-methoxybutan-2-yl]acetamide
CID 118873564

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methoxybutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(1-methoxybutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid (CID 64616284) is 2-[1-(1-methoxybutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-methoxybutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(1-methoxybutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid is CCC(COC)NC(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(1-methoxybutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid?
The InChIKey is GWWQLXYMVWFEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-9(7-17-2)12-11(16)13-5-8(6-13)4-10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 2-[1-(1-methoxybutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid?
2-[1-(1-methoxybutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid has a molecular weight of 244.29 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methoxybutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64616284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).