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

C14H23NO4 — CID 103555615

IUPAC3-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCOC1(CC(=O)NC2CCCC(C(=O)O)C2)CCC1
InChIInChI=1S/C14H23NO4/c1-19-14(6-3-7-14)9-12(16)15-11-5-2-4-10(8-11)13(17)18/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyHJJKWJBOZDOYNI-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.71
Rot. Bonds5

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

3-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 103555615) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID103555615
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name3-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCOC1(CC(=O)NC2CCCC(C(=O)O)C2)CCC1
InChIInChI=1S/C14H23NO4/c1-19-14(6-3-7-14)9-12(16)15-11-5-2-4-10(8-11)13(17)18/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyHJJKWJBOZDOYNI-UHFFFAOYSA-N
XLogP1.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 103555673
N-(3-hydroxycyclobutyl)-2-(1-methoxycyclobutyl)acetamide
CID 103557188
2-(1-methoxycyclobutyl)-N-pyrrolidin-3-ylacetamide
CID 103555829
1-cyclobutyl-2-(1-methoxycyclobutyl)ethanone
CID 103558973
1-[2-(1-methoxycyclobutyl)acetyl]azetidine-3-carboxylic acid
CID 103555656
2-(1-methoxycyclobutyl)-N-(2-methylpiperidin-3-yl)acetamide
CID 103557399
3-[[2-(azetidin-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64610824
1-cyclohexyl-2-(1-methoxycyclobutyl)ethanone
CID 103558733
2-(1-methoxycyclobutyl)acetohydrazide
CID 103555801
3-[[2-[acetyl(methyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid
CID 63043639
2-(1-hydroxycyclohexyl)-N-(3-methylcyclohexyl)acetamide
CID 111464407
3-(3-methylpentanoylamino)cyclohexane-1-carboxylic acid
CID 114873705

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 103555615) is 3-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclohexane-1-carboxylic acid is COC1(CC(=O)NC2CCCC(C(=O)O)C2)CCC1.
What is the InChIKey of 3-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is HJJKWJBOZDOYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-19-14(6-3-7-14)9-12(16)15-11-5-2-4-10(8-11)13(17)18/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclohexane-1-carboxylic acid?
3-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 103555615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).