1-[acetyl(propan-2-yl)amino]-3-methoxycyclobutane-1-carboxylic acid

C11H19NO4 — CID 106822740

IUPAC1-[acetyl(propan-2-yl)amino]-3-methoxycyclobutane-1-carboxylic acid
SMILESCOC1CC(C(=O)O)(N(C(C)=O)C(C)C)C1
InChIInChI=1S/C11H19NO4/c1-7(2)12(8(3)13)11(10(14)15)5-9(6-11)16-4/h7,9H,5-6H2,1-4H3,(H,14,15)
InChIKeyHRUHUSCYMUSFGF-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.88
Rot. Bonds4

About 1-[acetyl(propan-2-yl)amino]-3-methoxycyclobutane-1-carboxylic acid

1-[acetyl(propan-2-yl)amino]-3-methoxycyclobutane-1-carboxylic acid (PubChem CID 106822740) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[acetyl(propan-2-yl)amino]-3-methoxycyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[acetyl(propan-2-yl)amino]-3-methoxycyclobutane-1-carboxylic acid
PubChem CID106822740
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name1-[acetyl(propan-2-yl)amino]-3-methoxycyclobutane-1-carboxylic acid
SMILESCOC1CC(C(=O)O)(N(C(C)=O)C(C)C)C1
InChIInChI=1S/C11H19NO4/c1-7(2)12(8(3)13)11(10(14)15)5-9(6-11)16-4/h7,9H,5-6H2,1-4H3,(H,14,15)
InChIKeyHRUHUSCYMUSFGF-UHFFFAOYSA-N
XLogP0.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[acetyl(propan-2-yl)amino]-3-methoxycyclobutane-1-carboxylic acid?
The IUPAC name of 1-[acetyl(propan-2-yl)amino]-3-methoxycyclobutane-1-carboxylic acid (CID 106822740) is 1-[acetyl(propan-2-yl)amino]-3-methoxycyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[acetyl(propan-2-yl)amino]-3-methoxycyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[acetyl(propan-2-yl)amino]-3-methoxycyclobutane-1-carboxylic acid is COC1CC(C(=O)O)(N(C(C)=O)C(C)C)C1.
What is the InChIKey of 1-[acetyl(propan-2-yl)amino]-3-methoxycyclobutane-1-carboxylic acid?
The InChIKey is HRUHUSCYMUSFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-7(2)12(8(3)13)11(10(14)15)5-9(6-11)16-4/h7,9H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 1-[acetyl(propan-2-yl)amino]-3-methoxycyclobutane-1-carboxylic acid?
1-[acetyl(propan-2-yl)amino]-3-methoxycyclobutane-1-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[acetyl(propan-2-yl)amino]-3-methoxycyclobutane-1-carboxylic acid is sourced from PubChem (CID 106822740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).