4-[(4-propan-2-ylmorpholin-2-yl)methylamino]butanoic acid

C12H24N2O3 — CID 64534544

IUPAC4-[(4-propan-2-ylmorpholin-2-yl)methylamino]butanoic acid
SMILESCC(C)N1CCOC(CNCCCC(=O)O)C1
InChIInChI=1S/C12H24N2O3/c1-10(2)14-6-7-17-11(9-14)8-13-5-3-4-12(15)16/h10-11,13H,3-9H2,1-2H3,(H,15,16)
InChIKeySLHUJZMYNVTALO-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.55
Rot. Bonds7

About 4-[(4-propan-2-ylmorpholin-2-yl)methylamino]butanoic acid

4-[(4-propan-2-ylmorpholin-2-yl)methylamino]butanoic acid (PubChem CID 64534544) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-[(4-propan-2-ylmorpholin-2-yl)methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(4-propan-2-ylmorpholin-2-yl)methylamino]butanoic acid
PubChem CID64534544
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name4-[(4-propan-2-ylmorpholin-2-yl)methylamino]butanoic acid
SMILESCC(C)N1CCOC(CNCCCC(=O)O)C1
InChIInChI=1S/C12H24N2O3/c1-10(2)14-6-7-17-11(9-14)8-13-5-3-4-12(15)16/h10-11,13H,3-9H2,1-2H3,(H,15,16)
InChIKeySLHUJZMYNVTALO-UHFFFAOYSA-N
XLogP0.55
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]butan-1-amine
CID 65024909
2-[(4-propan-2-ylmorpholin-2-yl)methylamino]propanoic acid
CID 64534343
3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanoic acid
CID 95328025
2-cyclopentyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64535316
1-[(4-propan-2-ylmorpholin-2-yl)methylamino]cyclobutane-1-carboxylic acid
CID 81168185
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
N-[(4-propan-2-ylmorpholin-2-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 106325494
4-(oxan-2-ylmethylamino)butanoic acid
CID 43473562
2-N,2-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]propane-1,2-diamine
CID 64535121
1-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 65109049
methyl 4-[(4-methylmorpholin-2-yl)methylamino]butanoate
CID 78967404

Frequently Asked Questions

What is the IUPAC name of 4-[(4-propan-2-ylmorpholin-2-yl)methylamino]butanoic acid?
The IUPAC name of 4-[(4-propan-2-ylmorpholin-2-yl)methylamino]butanoic acid (CID 64534544) is 4-[(4-propan-2-ylmorpholin-2-yl)methylamino]butanoic acid.
What is the SMILES notation for 4-[(4-propan-2-ylmorpholin-2-yl)methylamino]butanoic acid?
The canonical SMILES for 4-[(4-propan-2-ylmorpholin-2-yl)methylamino]butanoic acid is CC(C)N1CCOC(CNCCCC(=O)O)C1.
What is the InChIKey of 4-[(4-propan-2-ylmorpholin-2-yl)methylamino]butanoic acid?
The InChIKey is SLHUJZMYNVTALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-10(2)14-6-7-17-11(9-14)8-13-5-3-4-12(15)16/h10-11,13H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 4-[(4-propan-2-ylmorpholin-2-yl)methylamino]butanoic acid?
4-[(4-propan-2-ylmorpholin-2-yl)methylamino]butanoic acid has a molecular weight of 244.33 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propan-2-ylmorpholin-2-yl)methylamino]butanoic acid is sourced from PubChem (CID 64534544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).