2-[1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutyl]acetic acid

C12H20N2O5 — CID 79851456

IUPAC2-[1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutyl]acetic acid
SMILESCCOC(=O)C(C)NC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C12H20N2O5/c1-3-19-10(17)8(2)13-11(18)14-12(5-4-6-12)7-9(15)16/h8H,3-7H2,1-2H3,(H,15,16)(H2,13,14,18)
InChIKeyATJDQAFVGBBSEE-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.63
Rot. Bonds6

About 2-[1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutyl]acetic acid

2-[1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutyl]acetic acid (PubChem CID 79851456) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutyl]acetic acid
PubChem CID79851456
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name2-[1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutyl]acetic acid
SMILESCCOC(=O)C(C)NC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C12H20N2O5/c1-3-19-10(17)8(2)13-11(18)14-12(5-4-6-12)7-9(15)16/h8H,3-7H2,1-2H3,(H,15,16)(H2,13,14,18)
InChIKeyATJDQAFVGBBSEE-UHFFFAOYSA-N
XLogP0.63
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(ethoxycarbonylamino)cyclobutyl]acetic acid
CID 79845201
1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61498908
2-[1-(pentan-3-ylcarbamoylamino)cyclopentyl]acetic acid
CID 64699645
2-[1-(1-methoxypentan-2-ylcarbamoylamino)cyclobutyl]acetic acid
CID 79851151
2-[1-(1-cyclohexylethylcarbamoylamino)cyclobutyl]acetic acid
CID 79851852
2-[1-(2-methylpentan-3-ylcarbamoylamino)cyclohexyl]acetic acid
CID 64701263
2-[1-[1-(dimethylamino)propan-2-ylcarbamoylamino]cyclobutyl]acetic acid
CID 82939315
2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid
CID 79846518
2-[1-(4,4,4-trifluorobutan-2-ylcarbamoylamino)cyclobutyl]acetic acid
CID 114131763
2-[1-(1-cyclopropylethylcarbamoylamino)cyclohexyl]acetic acid
CID 64700065
2-[1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutyl]acetic acid
CID 79851533
2-[1-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclobutyl]acetic acid
CID 79842467

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutyl]acetic acid (CID 79851456) is 2-[1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutyl]acetic acid is CCOC(=O)C(C)NC(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutyl]acetic acid?
The InChIKey is ATJDQAFVGBBSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-3-19-10(17)8(2)13-11(18)14-12(5-4-6-12)7-9(15)16/h8H,3-7H2,1-2H3,(H,15,16)(H2,13,14,18).
What are the key properties of 2-[1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutyl]acetic acid?
2-[1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutyl]acetic acid has a molecular weight of 272.30 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 79851456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).