1-[(4-propan-2-ylmorpholin-2-yl)methylamino]cyclobutane-1-carboxylic acid

C13H24N2O3 — CID 81168185

IUPAC1-[(4-propan-2-ylmorpholin-2-yl)methylamino]cyclobutane-1-carboxylic acid
SMILESCC(C)N1CCOC(CNC2(C(=O)O)CCC2)C1
InChIInChI=1S/C13H24N2O3/c1-10(2)15-6-7-18-11(9-15)8-14-13(12(16)17)4-3-5-13/h10-11,14H,3-9H2,1-2H3,(H,16,17)
InChIKeyPURGBHMSQJAPEA-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.69
Rot. Bonds5

About 1-[(4-propan-2-ylmorpholin-2-yl)methylamino]cyclobutane-1-carboxylic acid

1-[(4-propan-2-ylmorpholin-2-yl)methylamino]cyclobutane-1-carboxylic acid (PubChem CID 81168185) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[(4-propan-2-ylmorpholin-2-yl)methylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-propan-2-ylmorpholin-2-yl)methylamino]cyclobutane-1-carboxylic acid
PubChem CID81168185
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[(4-propan-2-ylmorpholin-2-yl)methylamino]cyclobutane-1-carboxylic acid
SMILESCC(C)N1CCOC(CNC2(C(=O)O)CCC2)C1
InChIInChI=1S/C13H24N2O3/c1-10(2)15-6-7-18-11(9-15)8-14-13(12(16)17)4-3-5-13/h10-11,14H,3-9H2,1-2H3,(H,16,17)
InChIKeyPURGBHMSQJAPEA-UHFFFAOYSA-N
XLogP0.69
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-propan-2-ylmorpholin-2-yl)methylamino]propanoic acid
CID 64534343
1-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 65109049
4-[(4-propan-2-ylmorpholin-2-yl)methylamino]butanoic acid
CID 64534544
N-[(4-propan-2-ylmorpholin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106212449
4-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]oxan-4-ol
CID 81130459
N-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 82723781
1-(oxolan-2-ylmethylamino)-4-propan-2-ylcycloheptane-1-carboxylic acid
CID 65088729
2-methyl-3-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]oxolan-3-ol
CID 106101133
2,2,2-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64532686
tert-butyl N-[[(2R)-4-propan-2-ylmorpholin-2-yl]methyl]carbamate
CID 163975726
3-chloro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]butan-1-amine
CID 65024909
2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methylsulfinyl]propanoic acid
CID 64913956

Frequently Asked Questions

What is the IUPAC name of 1-[(4-propan-2-ylmorpholin-2-yl)methylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(4-propan-2-ylmorpholin-2-yl)methylamino]cyclobutane-1-carboxylic acid (CID 81168185) is 1-[(4-propan-2-ylmorpholin-2-yl)methylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-propan-2-ylmorpholin-2-yl)methylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(4-propan-2-ylmorpholin-2-yl)methylamino]cyclobutane-1-carboxylic acid is CC(C)N1CCOC(CNC2(C(=O)O)CCC2)C1.
What is the InChIKey of 1-[(4-propan-2-ylmorpholin-2-yl)methylamino]cyclobutane-1-carboxylic acid?
The InChIKey is PURGBHMSQJAPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(2)15-6-7-18-11(9-15)8-14-13(12(16)17)4-3-5-13/h10-11,14H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 1-[(4-propan-2-ylmorpholin-2-yl)methylamino]cyclobutane-1-carboxylic acid?
1-[(4-propan-2-ylmorpholin-2-yl)methylamino]cyclobutane-1-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propan-2-ylmorpholin-2-yl)methylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81168185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).