1-[2-(1-methoxycyclobutyl)acetyl]azetidine-3-carboxylic acid

C11H17NO4 — CID 103555656

IUPAC1-[2-(1-methoxycyclobutyl)acetyl]azetidine-3-carboxylic acid
SMILESCOC1(CC(=O)N2CC(C(=O)O)C2)CCC1
InChIInChI=1S/C11H17NO4/c1-16-11(3-2-4-11)5-9(13)12-6-8(7-12)10(14)15/h8H,2-7H2,1H3,(H,14,15)
InChIKeyGATKQCHNYPIQGQ-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.49
Rot. Bonds4

About 1-[2-(1-methoxycyclobutyl)acetyl]azetidine-3-carboxylic acid

1-[2-(1-methoxycyclobutyl)acetyl]azetidine-3-carboxylic acid (PubChem CID 103555656) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-[2-(1-methoxycyclobutyl)acetyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-methoxycyclobutyl)acetyl]azetidine-3-carboxylic acid
PubChem CID103555656
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name1-[2-(1-methoxycyclobutyl)acetyl]azetidine-3-carboxylic acid
SMILESCOC1(CC(=O)N2CC(C(=O)O)C2)CCC1
InChIInChI=1S/C11H17NO4/c1-16-11(3-2-4-11)5-9(13)12-6-8(7-12)10(14)15/h8H,2-7H2,1H3,(H,14,15)
InChIKeyGATKQCHNYPIQGQ-UHFFFAOYSA-N
XLogP0.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Methoxy-3-methylbutanoyl)azetidine-3-carboxylic acid
CID 103018735
Methyl 3-[ethyl-[2-(1-methoxycyclobutyl)acetyl]amino]propanoate
CID 103520319
Methyl 3-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]-2-methylpropanoate
CID 103522032
Ethyl 3-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]propanoate
CID 103522035
1-[3-(Hydroxymethyl)azetidin-1-yl]-2-(1-methoxycyclobutyl)ethanone
CID 103526896
Methyl 3-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]propanoate
CID 103529731
3-[[2-(1-Methoxycyclobutyl)acetyl]amino]propanoic acid
CID 103555479
2-[[2-(1-Methoxycyclobutyl)acetyl]-methylamino]acetic acid
CID 103555486
4-[[2-(1-Methoxycyclobutyl)acetyl]-methylamino]butanoic acid
CID 103555513
3-[4-[2-(1-Methoxycyclobutyl)acetyl]piperazin-1-yl]propanoic acid
CID 103555526
3-[Cyclopropyl-[2-(1-methoxycyclobutyl)acetyl]amino]propanoic acid
CID 103555533
4-[[2-(1-Methoxycyclobutyl)acetyl]-propan-2-ylamino]butanoic acid
CID 103555540

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxycyclobutyl)acetyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[2-(1-methoxycyclobutyl)acetyl]azetidine-3-carboxylic acid (CID 103555656) is 1-[2-(1-methoxycyclobutyl)acetyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(1-methoxycyclobutyl)acetyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(1-methoxycyclobutyl)acetyl]azetidine-3-carboxylic acid is COC1(CC(=O)N2CC(C(=O)O)C2)CCC1.
What is the InChIKey of 1-[2-(1-methoxycyclobutyl)acetyl]azetidine-3-carboxylic acid?
The InChIKey is GATKQCHNYPIQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-16-11(3-2-4-11)5-9(13)12-6-8(7-12)10(14)15/h8H,2-7H2,1H3,(H,14,15).
What are the key properties of 1-[2-(1-methoxycyclobutyl)acetyl]azetidine-3-carboxylic acid?
1-[2-(1-methoxycyclobutyl)acetyl]azetidine-3-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxycyclobutyl)acetyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 103555656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).