3-[(4-ethylmorpholin-2-yl)methylamino]butanoic acid

C11H22N2O3 — CID 114399804

IUPAC3-[(4-ethylmorpholin-2-yl)methylamino]butanoic acid
SMILESCCN1CCOC(CNC(C)CC(=O)O)C1
InChIInChI=1S/C11H22N2O3/c1-3-13-4-5-16-10(8-13)7-12-9(2)6-11(14)15/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyVNBMKTDJPTZHFR-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.16
Rot. Bonds6

About 3-[(4-ethylmorpholin-2-yl)methylamino]butanoic acid

3-[(4-ethylmorpholin-2-yl)methylamino]butanoic acid (PubChem CID 114399804) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[(4-ethylmorpholin-2-yl)methylamino]butanoic acid.

Molecular Properties

Compound Name3-[(4-ethylmorpholin-2-yl)methylamino]butanoic acid
PubChem CID114399804
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-[(4-ethylmorpholin-2-yl)methylamino]butanoic acid
SMILESCCN1CCOC(CNC(C)CC(=O)O)C1
InChIInChI=1S/C11H22N2O3/c1-3-13-4-5-16-10(8-13)7-12-9(2)6-11(14)15/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyVNBMKTDJPTZHFR-UHFFFAOYSA-N
XLogP0.16
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(4-ethylmorpholin-2-yl)methylamino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]-1-ethylsulfonylpropan-2-amine
CID 115919948
N-[(4-ethylmorpholin-2-yl)methyl]-6-methylheptan-2-amine
CID 79166729
N-[(4-ethylmorpholin-2-yl)methyl]-4,4,4-trifluorobutan-2-amine
CID 103931823
1-cyclopropyl-N-[(4-ethylmorpholin-2-yl)methyl]propan-2-amine
CID 79166353
N-ethyl-2-[(4-ethylmorpholin-2-yl)methylamino]propanamide
CID 78960400
methyl 2-[(4-ethylmorpholin-2-yl)methylamino]butanoate
CID 113235641
3-N-[(4-ethylmorpholin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 79164421
3-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-2-methylbutanoic acid
CID 114400927
2-[(4-ethylmorpholin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide
CID 115623786
2-[butan-2-yl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]acetic acid
CID 114400930
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methylpentanamide
CID 114399970
3-[(2S)-4-ethylmorpholin-2-yl]propanoic acid
CID 95426355

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylmorpholin-2-yl)methylamino]butanoic acid?
The IUPAC name of 3-[(4-ethylmorpholin-2-yl)methylamino]butanoic acid (CID 114399804) is 3-[(4-ethylmorpholin-2-yl)methylamino]butanoic acid.
What is the SMILES notation for 3-[(4-ethylmorpholin-2-yl)methylamino]butanoic acid?
The canonical SMILES for 3-[(4-ethylmorpholin-2-yl)methylamino]butanoic acid is CCN1CCOC(CNC(C)CC(=O)O)C1.
What is the InChIKey of 3-[(4-ethylmorpholin-2-yl)methylamino]butanoic acid?
The InChIKey is VNBMKTDJPTZHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-13-4-5-16-10(8-13)7-12-9(2)6-11(14)15/h9-10,12H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 3-[(4-ethylmorpholin-2-yl)methylamino]butanoic acid?
3-[(4-ethylmorpholin-2-yl)methylamino]butanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylmorpholin-2-yl)methylamino]butanoic acid is sourced from PubChem (CID 114399804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).