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

C11H18N2O3 — CID 79851699

IUPAC2-[1-(cyclobutylcarbamoylamino)cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)NC2CCC2)CCC1
InChIInChI=1S/C11H18N2O3/c14-9(15)7-11(5-2-6-11)13-10(16)12-8-3-1-4-8/h8H,1-7H2,(H,14,15)(H2,12,13,16)
InChIKeyNPLXWYZWGRVCOS-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.24
Rot. Bonds4

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

2-[1-(cyclobutylcarbamoylamino)cyclobutyl]acetic acid (PubChem CID 79851699) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[1-(cyclobutylcarbamoylamino)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(cyclobutylcarbamoylamino)cyclobutyl]acetic acid
PubChem CID79851699
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-[1-(cyclobutylcarbamoylamino)cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)NC2CCC2)CCC1
InChIInChI=1S/C11H18N2O3/c14-9(15)7-11(5-2-6-11)13-10(16)12-8-3-1-4-8/h8H,1-7H2,(H,14,15)(H2,12,13,16)
InChIKeyNPLXWYZWGRVCOS-UHFFFAOYSA-N
XLogP1.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(4-hydroxycyclohexyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845890
2-[1-[(4-methylcyclohexyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845568
1-cyclobutyl-3-(1-ethylcyclobutyl)urea
CID 115673198
2-[1-[(1,1-dioxothiolan-3-yl)carbamoylamino]cyclobutyl]acetic acid
CID 79845778
2-[1-[(3-methylcyclopentyl)carbamoylamino]cyclohexyl]acetic acid
CID 114548722
2-[1-[(1-methylpyrrolidin-3-yl)carbamoylamino]cyclopentyl]acetic acid
CID 64699503
2-[1-(1-cyclohexylethylcarbamoylamino)cyclobutyl]acetic acid
CID 79851852
2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid
CID 79846518
2-[1-(cyclopentanecarbonylamino)cyclobutyl]acetic acid
CID 79849092
2-[1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentyl]acetic acid
CID 82729085
2-[1-(cyclopentylamino)cyclopentyl]acetic acid
CID 82933315
2-[1-(1-cyclohexylethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700515

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutylcarbamoylamino)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(cyclobutylcarbamoylamino)cyclobutyl]acetic acid (CID 79851699) is 2-[1-(cyclobutylcarbamoylamino)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(cyclobutylcarbamoylamino)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(cyclobutylcarbamoylamino)cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)NC2CCC2)CCC1.
What is the InChIKey of 2-[1-(cyclobutylcarbamoylamino)cyclobutyl]acetic acid?
The InChIKey is NPLXWYZWGRVCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-9(15)7-11(5-2-6-11)13-10(16)12-8-3-1-4-8/h8H,1-7H2,(H,14,15)(H2,12,13,16).
What are the key properties of 2-[1-(cyclobutylcarbamoylamino)cyclobutyl]acetic acid?
2-[1-(cyclobutylcarbamoylamino)cyclobutyl]acetic acid has a molecular weight of 226.28 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutylcarbamoylamino)cyclobutyl]acetic acid is sourced from PubChem (CID 79851699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).