3-ethoxy-2,2-dimethyl-1-[(2-propoxyacetyl)amino]cyclobutane-1-carboxylic acid

C14H25NO5 — CID 120699517

IUPAC3-ethoxy-2,2-dimethyl-1-[(2-propoxyacetyl)amino]cyclobutane-1-carboxylic acid
SMILESCCCOCC(=O)NC1(C(=O)O)CC(OCC)C1(C)C
InChIInChI=1S/C14H25NO5/c1-5-7-19-9-11(16)15-14(12(17)18)8-10(20-6-2)13(14,3)4/h10H,5-9H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyQMHIAOQQAQKQOA-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.19
Rot. Bonds8

About 3-ethoxy-2,2-dimethyl-1-[(2-propoxyacetyl)amino]cyclobutane-1-carboxylic acid

3-ethoxy-2,2-dimethyl-1-[(2-propoxyacetyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 120699517) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-1-[(2-propoxyacetyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-1-[(2-propoxyacetyl)amino]cyclobutane-1-carboxylic acid
PubChem CID120699517
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name3-ethoxy-2,2-dimethyl-1-[(2-propoxyacetyl)amino]cyclobutane-1-carboxylic acid
SMILESCCCOCC(=O)NC1(C(=O)O)CC(OCC)C1(C)C
InChIInChI=1S/C14H25NO5/c1-5-7-19-9-11(16)15-14(12(17)18)8-10(20-6-2)13(14,3)4/h10H,5-9H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyQMHIAOQQAQKQOA-UHFFFAOYSA-N
XLogP1.19
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-2,2-dimethyl-1-[(2-methylsulfanylacetyl)amino]cyclobutane-1-carboxylic acid
CID 120700341
1-(3-cyclopropylpropanoylamino)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120700240
1-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699966
3-ethoxy-2,2-dimethyl-1-[[2-(3-methylcyclohexyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 120700400
3-ethoxy-1-(3-ethylheptanoylamino)-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120700585
3-ethoxy-1-[[2-(4-hydroxyphenyl)acetyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699950
3-ethoxy-2,2-dimethyl-1-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]cyclobutane-1-carboxylic acid
CID 120700277
1-[3-(cyclopentanecarbonylamino)butanoylamino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699357
3-ethoxy-1-[[2-(2-fluoro-5-methylphenoxy)acetyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699491
1-[4-(2,2-dimethylpropanoylamino)butanoylamino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120700108
3-ethoxy-2,2-dimethyl-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]cyclobutane-1-carboxylic acid
CID 120699633
1-[(3,5-difluorobenzoyl)amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699634

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-1-[(2-propoxyacetyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-ethoxy-2,2-dimethyl-1-[(2-propoxyacetyl)amino]cyclobutane-1-carboxylic acid (CID 120699517) is 3-ethoxy-2,2-dimethyl-1-[(2-propoxyacetyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-1-[(2-propoxyacetyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-1-[(2-propoxyacetyl)amino]cyclobutane-1-carboxylic acid is CCCOCC(=O)NC1(C(=O)O)CC(OCC)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-1-[(2-propoxyacetyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is QMHIAOQQAQKQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-5-7-19-9-11(16)15-14(12(17)18)8-10(20-6-2)13(14,3)4/h10H,5-9H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 3-ethoxy-2,2-dimethyl-1-[(2-propoxyacetyl)amino]cyclobutane-1-carboxylic acid?
3-ethoxy-2,2-dimethyl-1-[(2-propoxyacetyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-1-[(2-propoxyacetyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120699517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).