4-[(2-cyclobutylacetyl)amino]oxane-4-carboxylic acid

C12H19NO4 — CID 103162101

IUPAC4-[(2-cyclobutylacetyl)amino]oxane-4-carboxylic acid
SMILESO=C(CC1CCC1)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C12H19NO4/c14-10(8-9-2-1-3-9)13-12(11(15)16)4-6-17-7-5-12/h9H,1-8H2,(H,13,14)(H,15,16)
InChIKeyUXVBGCDNBLOQAI-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.93
Rot. Bonds4

About 4-[(2-cyclobutylacetyl)amino]oxane-4-carboxylic acid

4-[(2-cyclobutylacetyl)amino]oxane-4-carboxylic acid (PubChem CID 103162101) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-[(2-cyclobutylacetyl)amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(2-cyclobutylacetyl)amino]oxane-4-carboxylic acid
PubChem CID103162101
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name4-[(2-cyclobutylacetyl)amino]oxane-4-carboxylic acid
SMILESO=C(CC1CCC1)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C12H19NO4/c14-10(8-9-2-1-3-9)13-12(11(15)16)4-6-17-7-5-12/h9H,1-8H2,(H,13,14)(H,15,16)
InChIKeyUXVBGCDNBLOQAI-UHFFFAOYSA-N
XLogP0.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
1-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
CID 60748185
1-[(2-cyclopentylacetyl)amino]cycloheptane-1-carboxylic acid
CID 60758045
4-(cyclopentylmethylcarbamoylamino)oxane-4-carboxylic acid
CID 115292855
4-[(2-cyclopent-2-en-1-ylacetyl)amino]oxane-4-carboxylic acid
CID 113280127
2-cyclopropyl-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 104630587
1-[[2-(4-tert-butylcyclohexyl)acetyl]amino]cyclopropane-1-carboxylic acid
CID 120530397
1-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538570
4-(2-cyclohexylethylcarbamoylamino)oxane-4-carboxylic acid
CID 115292915
4-(3,3,3-trifluoropropanoylamino)oxane-4-carboxylic acid
CID 71222479
1-[[2-(azetidin-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64609550

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclobutylacetyl)amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[(2-cyclobutylacetyl)amino]oxane-4-carboxylic acid (CID 103162101) is 4-[(2-cyclobutylacetyl)amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(2-cyclobutylacetyl)amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(2-cyclobutylacetyl)amino]oxane-4-carboxylic acid is O=C(CC1CCC1)NC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[(2-cyclobutylacetyl)amino]oxane-4-carboxylic acid?
The InChIKey is UXVBGCDNBLOQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c14-10(8-9-2-1-3-9)13-12(11(15)16)4-6-17-7-5-12/h9H,1-8H2,(H,13,14)(H,15,16).
What are the key properties of 4-[(2-cyclobutylacetyl)amino]oxane-4-carboxylic acid?
4-[(2-cyclobutylacetyl)amino]oxane-4-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclobutylacetyl)amino]oxane-4-carboxylic acid is sourced from PubChem (CID 103162101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).