2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid

C9H16N2O3 — CID 79846518

IUPAC2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid
SMILESCCNC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C9H16N2O3/c1-2-10-8(14)11-9(4-3-5-9)6-7(12)13/h2-6H2,1H3,(H,12,13)(H2,10,11,14)
InChIKeyZCXLBYILGJYLOK-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.70
Rot. Bonds4

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

2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid (PubChem CID 79846518) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid
PubChem CID79846518
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid
SMILESCCNC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C9H16N2O3/c1-2-10-8(14)11-9(4-3-5-9)6-7(12)13/h2-6H2,1H3,(H,12,13)(H2,10,11,14)
InChIKeyZCXLBYILGJYLOK-UHFFFAOYSA-N
XLogP0.70
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-methylprop-2-enylcarbamoylamino)cyclobutyl]acetic acid
CID 114617990
2-[1-(pentylcarbamoylamino)cyclopentyl]acetic acid
CID 64700433
2-[1-[2-[ethyl(methyl)amino]ethylcarbamoylamino]cyclobutyl]acetic acid
CID 79850980
2-[1-(2-methylpropylcarbamoylamino)cyclohexyl]acetic acid
CID 64702378
2-[1-(3-methylbut-2-enylcarbamoylamino)cyclopentyl]acetic acid
CID 106191220
2-[1-(2,3-dimethylbutylcarbamoylamino)cyclopentyl]acetic acid
CID 64701906
2-[1-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexyl]acetic acid
CID 64701993
2-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]cyclobutyl]acetic acid
CID 79852021
2-[1-[2-(dimethylamino)propylcarbamoylamino]cyclohexyl]acetic acid
CID 64700507
2-[1-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid
CID 79842476
2-[1-(pentan-3-ylcarbamoylamino)cyclopentyl]acetic acid
CID 64699645
2-[1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclopentyl]acetic acid
CID 114943589

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid (CID 79846518) is 2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid is CCNC(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid?
The InChIKey is ZCXLBYILGJYLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-10-8(14)11-9(4-3-5-9)6-7(12)13/h2-6H2,1H3,(H,12,13)(H2,10,11,14).
What are the key properties of 2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid?
2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid has a molecular weight of 200.24 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid is sourced from PubChem (CID 79846518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).