2-[1-(morpholin-4-ylmethyl)cyclobutyl]acetic acid

C11H19NO3 — CID 81167706

IUPAC2-[1-(morpholin-4-ylmethyl)cyclobutyl]acetic acid
SMILESO=C(O)CC1(CN2CCOCC2)CCC1
InChIInChI=1S/C11H19NO3/c13-10(14)8-11(2-1-3-11)9-12-4-6-15-7-5-12/h1-9H2,(H,13,14)
InChIKeyXHNILKCQMPLKAJ-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.96
Rot. Bonds4

About 2-[1-(morpholin-4-ylmethyl)cyclobutyl]acetic acid

2-[1-(morpholin-4-ylmethyl)cyclobutyl]acetic acid (PubChem CID 81167706) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[1-(morpholin-4-ylmethyl)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(morpholin-4-ylmethyl)cyclobutyl]acetic acid
PubChem CID81167706
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[1-(morpholin-4-ylmethyl)cyclobutyl]acetic acid
SMILESO=C(O)CC1(CN2CCOCC2)CCC1
InChIInChI=1S/C11H19NO3/c13-10(14)8-11(2-1-3-11)9-12-4-6-15-7-5-12/h1-9H2,(H,13,14)
InChIKeyXHNILKCQMPLKAJ-UHFFFAOYSA-N
XLogP0.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-azaspiro[3.3]heptan-2-ylmethyl)cyclobutyl]acetic acid
CID 81166807
2-[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]acetic acid
CID 65498651
1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid
CID 68756904
4-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1,4-diazepane-1-carboxamide
CID 75470847
2-[7,14-bis(carboxymethyl)-1,4-dioxa-7,10,14-triazacyclohexadec-10-yl]acetic acid
CID 101053388
2-(1-morpholin-4-ylcycloheptyl)acetic acid
CID 64527342
4-[[1-(bromomethyl)cyclopentyl]methyl]-1,4-oxazepane
CID 65002858
2-[1-[(2,7-dioxoazepan-1-yl)methyl]cyclobutyl]acetic acid
CID 81164891
2-amino-2-methyl-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]propanamide
CID 119896444
2-[1-(2-morpholin-4-ylethylcarbamoylamino)cyclobutyl]acetic acid
CID 79846735
2-[1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclopropyl]acetic acid
CID 65496738
2-[1-[(4-propan-2-ylazepan-1-yl)methyl]cyclopropyl]acetic acid
CID 65497815

Frequently Asked Questions

What is the IUPAC name of 2-[1-(morpholin-4-ylmethyl)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(morpholin-4-ylmethyl)cyclobutyl]acetic acid (CID 81167706) is 2-[1-(morpholin-4-ylmethyl)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(morpholin-4-ylmethyl)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(morpholin-4-ylmethyl)cyclobutyl]acetic acid is O=C(O)CC1(CN2CCOCC2)CCC1.
What is the InChIKey of 2-[1-(morpholin-4-ylmethyl)cyclobutyl]acetic acid?
The InChIKey is XHNILKCQMPLKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c13-10(14)8-11(2-1-3-11)9-12-4-6-15-7-5-12/h1-9H2,(H,13,14).
What are the key properties of 2-[1-(morpholin-4-ylmethyl)cyclobutyl]acetic acid?
2-[1-(morpholin-4-ylmethyl)cyclobutyl]acetic acid has a molecular weight of 213.28 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(morpholin-4-ylmethyl)cyclobutyl]acetic acid is sourced from PubChem (CID 81167706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).