3-[[2-(3-ethoxycyclobutyl)acetyl]amino]oxolane-3-carboxylic acid

C13H21NO5 — CID 103161981

IUPAC3-[[2-(3-ethoxycyclobutyl)acetyl]amino]oxolane-3-carboxylic acid
SMILESCCOC1CC(CC(=O)NC2(C(=O)O)CCOC2)C1
InChIInChI=1S/C13H21NO5/c1-2-19-10-5-9(6-10)7-11(15)14-13(12(16)17)3-4-18-8-13/h9-10H,2-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyMXGWBNAZXYZRCR-UHFFFAOYSA-N
MW271.31 g/mol
LogP0.55
Rot. Bonds6

About 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]oxolane-3-carboxylic acid

3-[[2-(3-ethoxycyclobutyl)acetyl]amino]oxolane-3-carboxylic acid (PubChem CID 103161981) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(3-ethoxycyclobutyl)acetyl]amino]oxolane-3-carboxylic acid
PubChem CID103161981
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name3-[[2-(3-ethoxycyclobutyl)acetyl]amino]oxolane-3-carboxylic acid
SMILESCCOC1CC(CC(=O)NC2(C(=O)O)CCOC2)C1
InChIInChI=1S/C13H21NO5/c1-2-19-10-5-9(6-10)7-11(15)14-13(12(16)17)3-4-18-8-13/h9-10H,2-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyMXGWBNAZXYZRCR-UHFFFAOYSA-N
XLogP0.55
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-cyclobutylacetyl)amino]oxolane-3-carboxylic acid
CID 103925898
3-[(2-cyclohexylacetyl)amino]oxolane-3-carboxylic acid
CID 64889178
3-(butanoylamino)oxolane-3-carboxylic acid
CID 64889566
2-(3-ethoxycyclobutyl)-N-[1-(hydroxymethyl)cyclobutyl]acetamide
CID 103164769
4-[(2-cyclobutylacetyl)amino]oxane-4-carboxylic acid
CID 103162101
3-(2-methylbutanoylamino)oxolane-3-carboxylic acid
CID 64888643
3-(ethylamino)oxolane-3-carboxylic acid
CID 63335789
1-[[[2-(3-ethoxycyclobutyl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 103162109
3-(cyclopropylmethylamino)oxolane-3-carboxylic acid
CID 63333220
2-[[2-(3-ethoxycyclobutyl)acetyl]amino]acetic acid
CID 103161702
(3R)-3-(methylamino)oxolane-3-carboxylic acid
CID 95380076
4-(4-ethoxybutanoylamino)oxane-4-carboxylic acid
CID 113280130

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]oxolane-3-carboxylic acid (CID 103161981) is 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]oxolane-3-carboxylic acid is CCOC1CC(CC(=O)NC2(C(=O)O)CCOC2)C1.
What is the InChIKey of 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]oxolane-3-carboxylic acid?
The InChIKey is MXGWBNAZXYZRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-2-19-10-5-9(6-10)7-11(15)14-13(12(16)17)3-4-18-8-13/h9-10H,2-8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]oxolane-3-carboxylic acid?
3-[[2-(3-ethoxycyclobutyl)acetyl]amino]oxolane-3-carboxylic acid has a molecular weight of 271.31 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 103161981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).