3-[(cyclobutylmethylamino)methyl]oxetane-3-carboxylic acid

C10H17NO3 — CID 115248458

IUPAC3-[(cyclobutylmethylamino)methyl]oxetane-3-carboxylic acid
SMILESO=C(O)C1(CNCC2CCC2)COC1
InChIInChI=1S/C10H17NO3/c12-9(13)10(6-14-7-10)5-11-4-8-2-1-3-8/h8,11H,1-7H2,(H,12,13)
InChIKeyUYGFSBGLIXXLSN-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.48
Rot. Bonds5

About 3-[(cyclobutylmethylamino)methyl]oxetane-3-carboxylic acid

3-[(cyclobutylmethylamino)methyl]oxetane-3-carboxylic acid (PubChem CID 115248458) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-[(cyclobutylmethylamino)methyl]oxetane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(cyclobutylmethylamino)methyl]oxetane-3-carboxylic acid
PubChem CID115248458
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-[(cyclobutylmethylamino)methyl]oxetane-3-carboxylic acid
SMILESO=C(O)C1(CNCC2CCC2)COC1
InChIInChI=1S/C10H17NO3/c12-9(13)10(6-14-7-10)5-11-4-8-2-1-3-8/h8,11H,1-7H2,(H,12,13)
InChIKeyUYGFSBGLIXXLSN-UHFFFAOYSA-N
XLogP0.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(cyclopentylmethylamino)methyl]cyclobutane-1-carboxylic acid
CID 115246539
[3-[(cyclobutylmethylamino)methyl]oxetan-3-yl]methanol
CID 115249008
[3-[(cyclopentylmethylamino)methyl]oxetan-3-yl]methanol
CID 115249002
N-(2-cyclobutylethyl)-3-(hydroxymethyl)oxetane-3-carboxamide
CID 115185450
1-[(cyclobutylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451238
3-cyano-N-(cyclobutylmethyl)oxetane-3-carboxamide
CID 115184749
methyl 4-[[(3-methylcyclohexyl)methylamino]methyl]oxane-4-carboxylate
CID 86804472
1-cyclobutyl-N-(cyclobutylmethyl)methanamine
CID 54206114
3-[(2,2,4-trimethylpentylamino)methyl]oxetane-3-carboxylic acid
CID 115248567
3-[[(4-bromophenyl)methylamino]methyl]oxetane-3-carboxylic acid
CID 115248411
3-[[(2,4,6-trimethylphenyl)methylamino]methyl]oxetane-3-carboxylic acid
CID 115248425
1-cyclobutyl-N-(cyclobutylmethyl)methanamine;hydrochloride
CID 134690905

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclobutylmethylamino)methyl]oxetane-3-carboxylic acid?
The IUPAC name of 3-[(cyclobutylmethylamino)methyl]oxetane-3-carboxylic acid (CID 115248458) is 3-[(cyclobutylmethylamino)methyl]oxetane-3-carboxylic acid.
What is the SMILES notation for 3-[(cyclobutylmethylamino)methyl]oxetane-3-carboxylic acid?
The canonical SMILES for 3-[(cyclobutylmethylamino)methyl]oxetane-3-carboxylic acid is O=C(O)C1(CNCC2CCC2)COC1.
What is the InChIKey of 3-[(cyclobutylmethylamino)methyl]oxetane-3-carboxylic acid?
The InChIKey is UYGFSBGLIXXLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c12-9(13)10(6-14-7-10)5-11-4-8-2-1-3-8/h8,11H,1-7H2,(H,12,13).
What are the key properties of 3-[(cyclobutylmethylamino)methyl]oxetane-3-carboxylic acid?
3-[(cyclobutylmethylamino)methyl]oxetane-3-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclobutylmethylamino)methyl]oxetane-3-carboxylic acid is sourced from PubChem (CID 115248458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).