1-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid

C15H19NO4 — CID 65453669

IUPAC1-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
SMILESCC(C)c1ccc(OCC(=O)NC2(C(=O)O)CC2)cc1
InChIInChI=1S/C15H19NO4/c1-10(2)11-3-5-12(6-4-11)20-9-13(17)16-15(7-8-15)14(18)19/h3-6,10H,7-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyLVPVDKCJSGLJPU-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.92
Rot. Bonds6

About 1-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid

1-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid (PubChem CID 65453669) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
PubChem CID65453669
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name1-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
SMILESCC(C)c1ccc(OCC(=O)NC2(C(=O)O)CC2)cc1
InChIInChI=1S/C15H19NO4/c1-10(2)11-3-5-12(6-4-11)20-9-13(17)16-15(7-8-15)14(18)19/h3-6,10H,7-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyLVPVDKCJSGLJPU-UHFFFAOYSA-N
XLogP1.92
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

1-[[2-(4-methoxyphenoxy)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158031
1-[[2-(4-methoxyphenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538622
1-[[2-(4-bromophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43239141
1-[[2-(4-fluorophenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538968
2-(4-propan-2-ylphenoxy)acetohydrazide
CID 968935
2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 9157069
1-N',9-N'-bis[2-(4-propan-2-ylphenoxy)acetyl]nonanedihydrazide
CID 4506492
1-[[2-(2-hydroxyphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
CID 65452796
2-(4-propan-2-ylphenoxy)-N-[(1S,2R)-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 27870934
N-(4-hydroxybutan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 81042144
3-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 19168024
2-phenyl-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 119113417

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid (CID 65453669) is 1-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid is CC(C)c1ccc(OCC(=O)NC2(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid?
The InChIKey is LVPVDKCJSGLJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10(2)11-3-5-12(6-4-11)20-9-13(17)16-15(7-8-15)14(18)19/h3-6,10H,7-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 1-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid?
1-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 65453669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).