2-[1-[2-[ethyl(methyl)amino]ethylcarbamoylamino]cyclobutyl]acetic acid

C12H23N3O3 — CID 79850980

IUPAC2-[1-[2-[ethyl(methyl)amino]ethylcarbamoylamino]cyclobutyl]acetic acid
SMILESCCN(C)CCNC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C12H23N3O3/c1-3-15(2)8-7-13-11(18)14-12(5-4-6-12)9-10(16)17/h3-9H2,1-2H3,(H,16,17)(H2,13,14,18)
InChIKeyZHPVIIXFLMSUNC-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.63
Rot. Bonds7

About 2-[1-[2-[ethyl(methyl)amino]ethylcarbamoylamino]cyclobutyl]acetic acid

2-[1-[2-[ethyl(methyl)amino]ethylcarbamoylamino]cyclobutyl]acetic acid (PubChem CID 79850980) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[1-[2-[ethyl(methyl)amino]ethylcarbamoylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[ethyl(methyl)amino]ethylcarbamoylamino]cyclobutyl]acetic acid
PubChem CID79850980
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-[1-[2-[ethyl(methyl)amino]ethylcarbamoylamino]cyclobutyl]acetic acid
SMILESCCN(C)CCNC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C12H23N3O3/c1-3-15(2)8-7-13-11(18)14-12(5-4-6-12)9-10(16)17/h3-9H2,1-2H3,(H,16,17)(H2,13,14,18)
InChIKeyZHPVIIXFLMSUNC-UHFFFAOYSA-N
XLogP0.63
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[1-[2-[ethyl(methyl)amino]ethylcarbamoylamino]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-(ethylcarbamoylamino)cyclobutyl]acetic acid
CID 79846518
2-[1-[3-(dimethylamino)propylcarbamoylamino]cyclohexyl]acetic acid
CID 64701811
1-[2-[ethyl(methyl)amino]ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 62635853
2-[1-(pentylcarbamoylamino)cyclopentyl]acetic acid
CID 64700433
2-[1-[2-(dimethylamino)propylcarbamoylamino]cyclohexyl]acetic acid
CID 64700507
2-[1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]cyclohexyl]acetic acid
CID 64699672
2-[1-(2-methylsulfanylethylcarbamoylamino)cyclohexyl]acetic acid
CID 64701496
2-[1-(2-methylprop-2-enylcarbamoylamino)cyclobutyl]acetic acid
CID 114617990
1-[2-[ethyl(methyl)amino]ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62635571
2-[1-(dipropylcarbamoylamino)cyclobutyl]acetic acid
CID 79845566
2-[1-(2-cyclopentylethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700859
2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid
CID 64701206

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[ethyl(methyl)amino]ethylcarbamoylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[2-[ethyl(methyl)amino]ethylcarbamoylamino]cyclobutyl]acetic acid (CID 79850980) is 2-[1-[2-[ethyl(methyl)amino]ethylcarbamoylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[ethyl(methyl)amino]ethylcarbamoylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[2-[ethyl(methyl)amino]ethylcarbamoylamino]cyclobutyl]acetic acid is CCN(C)CCNC(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[2-[ethyl(methyl)amino]ethylcarbamoylamino]cyclobutyl]acetic acid?
The InChIKey is ZHPVIIXFLMSUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-3-15(2)8-7-13-11(18)14-12(5-4-6-12)9-10(16)17/h3-9H2,1-2H3,(H,16,17)(H2,13,14,18).
What are the key properties of 2-[1-[2-[ethyl(methyl)amino]ethylcarbamoylamino]cyclobutyl]acetic acid?
2-[1-[2-[ethyl(methyl)amino]ethylcarbamoylamino]cyclobutyl]acetic acid has a molecular weight of 257.33 g/mol, XLogP of 0.63, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[ethyl(methyl)amino]ethylcarbamoylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 79850980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).