2-(1-aminocyclobutyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide

C12H22N2O3 — CID 81130546

IUPAC2-(1-aminocyclobutyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
SMILESNC1(CC(=O)NCC2(O)CCOCC2)CCC1
InChIInChI=1S/C12H22N2O3/c13-11(2-1-3-11)8-10(15)14-9-12(16)4-6-17-7-5-12/h16H,1-9,13H2,(H,14,15)
InChIKeyUJSQDTFZFLUHBS-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.08
Rot. Bonds4

About 2-(1-aminocyclobutyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide

2-(1-aminocyclobutyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide (PubChem CID 81130546) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
PubChem CID81130546
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-(1-aminocyclobutyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
SMILESNC1(CC(=O)NCC2(O)CCOCC2)CCC1
InChIInChI=1S/C12H22N2O3/c13-11(2-1-3-11)8-10(15)14-9-12(16)4-6-17-7-5-12/h16H,1-9,13H2,(H,14,15)
InChIKeyUJSQDTFZFLUHBS-UHFFFAOYSA-N
XLogP-0.08
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminocyclohexyl)-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 65122600
2-[1-(aminomethyl)cyclohexyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 104678478
2-cycloheptyl-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 111825728
N-[(4-hydroxyoxan-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 81130209
2-[(4-hydroxyoxan-4-yl)methylamino]acetamide
CID 81130797
4-amino-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide
CID 81131323
N-[(1-hydroxycyclobutyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111539371
2-(1-aminocyclobutyl)-N-(2-aminoethyl)acetamide
CID 79853853
2-[[2-(1-aminocyclobutyl)acetyl]amino]acetic acid
CID 79854186
2-(1-aminocyclohexyl)-N-(2-amino-2-oxoethyl)acetamide
CID 64684917
N-[(4-hydroxyoxan-4-yl)methyl]-2-pyrrolidin-3-ylacetamide
CID 81130731
N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 79038917

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide (CID 81130546) is 2-(1-aminocyclobutyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide is NC1(CC(=O)NCC2(O)CCOCC2)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide?
The InChIKey is UJSQDTFZFLUHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c13-11(2-1-3-11)8-10(15)14-9-12(16)4-6-17-7-5-12/h16H,1-9,13H2,(H,14,15).
What are the key properties of 2-(1-aminocyclobutyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide?
2-(1-aminocyclobutyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide has a molecular weight of 242.32 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide is sourced from PubChem (CID 81130546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).