2-[1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutyl]acetic acid

C13H22N2O4 — CID 102865457

IUPAC2-[1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)N(CCO)C2CCC2)CCC1
InChIInChI=1S/C13H22N2O4/c16-8-7-15(10-3-1-4-10)12(19)14-13(5-2-6-13)9-11(17)18/h10,16H,1-9H2,(H,14,19)(H,17,18)
InChIKeyDTOHTURKCDFMRC-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.94
Rot. Bonds6

About 2-[1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutyl]acetic acid

2-[1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutyl]acetic acid (PubChem CID 102865457) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutyl]acetic acid
PubChem CID102865457
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)N(CCO)C2CCC2)CCC1
InChIInChI=1S/C13H22N2O4/c16-8-7-15(10-3-1-4-10)12(19)14-13(5-2-6-13)9-11(17)18/h10,16H,1-9H2,(H,14,19)(H,17,18)
InChIKeyDTOHTURKCDFMRC-UHFFFAOYSA-N
XLogP0.94
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
CID 102865658
2-[1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64701274
2-[1-[[cyclohexyl(methyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79846087
2-[1-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64702597
2-[1-(dipropylcarbamoylamino)cyclobutyl]acetic acid
CID 79845566
2-[1-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79842220
2-[1-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexyl]acetic acid
CID 64700480
2-[1-(cyclobutylcarbamoylamino)cyclobutyl]acetic acid
CID 79851699
2-[1-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 79846736
2-[1-(cyclopentanecarbonylamino)cyclobutyl]acetic acid
CID 79849092
2-[1-(dipropylcarbamoylamino)cyclopentyl]acetic acid
CID 64702576
2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid
CID 64701206

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutyl]acetic acid (CID 102865457) is 2-[1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)N(CCO)C2CCC2)CCC1.
What is the InChIKey of 2-[1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutyl]acetic acid?
The InChIKey is DTOHTURKCDFMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c16-8-7-15(10-3-1-4-10)12(19)14-13(5-2-6-13)9-11(17)18/h10,16H,1-9H2,(H,14,19)(H,17,18).
What are the key properties of 2-[1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutyl]acetic acid?
2-[1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutyl]acetic acid has a molecular weight of 270.33 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 102865457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).