3-[N-[(4-ethylmorpholin-2-yl)methyl]anilino]propanoic acid

C16H24N2O3 — CID 79172488

IUPAC3-[N-[(4-ethylmorpholin-2-yl)methyl]anilino]propanoic acid
SMILESCCN1CCOC(CN(CCC(=O)O)c2ccccc2)C1
InChIInChI=1S/C16H24N2O3/c1-2-17-10-11-21-15(12-17)13-18(9-8-16(19)20)14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,19,20)
InChIKeyQPKYYAGNUXSBIX-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.69
Rot. Bonds7

About 3-[N-[(4-ethylmorpholin-2-yl)methyl]anilino]propanoic acid

3-[N-[(4-ethylmorpholin-2-yl)methyl]anilino]propanoic acid (PubChem CID 79172488) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[N-[(4-ethylmorpholin-2-yl)methyl]anilino]propanoic acid.

Molecular Properties

Compound Name3-[N-[(4-ethylmorpholin-2-yl)methyl]anilino]propanoic acid
PubChem CID79172488
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-[N-[(4-ethylmorpholin-2-yl)methyl]anilino]propanoic acid
SMILESCCN1CCOC(CN(CCC(=O)O)c2ccccc2)C1
InChIInChI=1S/C16H24N2O3/c1-2-17-10-11-21-15(12-17)13-18(9-8-16(19)20)14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,19,20)
InChIKeyQPKYYAGNUXSBIX-UHFFFAOYSA-N
XLogP1.69
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-[(4-methylmorpholin-2-yl)methyl]anilino]acetic acid
CID 79182777
4-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-N-propylaniline
CID 79166888
3-[(2S)-4-ethylmorpholin-2-yl]propanoic acid
CID 95426355
3-[ethyl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]propanoic acid
CID 114400933
3-[(4-ethylmorpholin-2-yl)methylsulfamoyl-methylamino]propanoic acid
CID 114399539
3-[[2-(4-benzylmorpholin-2-yl)acetyl]-methylamino]propanoic acid
CID 119362755
2-[2-(hydroxymethyl)morpholin-4-yl]-N-methyl-N-phenylacetamide
CID 79833459
N-[[(2R)-4-ethylmorpholin-2-yl]methyl]-N-methylpropanamide
CID 155582749
3-[(4-ethylmorpholin-2-yl)methylsulfamoyl]propanoic acid
CID 114399530
2-[2-(aminomethyl)morpholin-4-yl]-N-phenylacetamide
CID 61336829
2,4-diethylmorpholine
CID 58988021
2-[(4-ethylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258676

Frequently Asked Questions

What is the IUPAC name of 3-[N-[(4-ethylmorpholin-2-yl)methyl]anilino]propanoic acid?
The IUPAC name of 3-[N-[(4-ethylmorpholin-2-yl)methyl]anilino]propanoic acid (CID 79172488) is 3-[N-[(4-ethylmorpholin-2-yl)methyl]anilino]propanoic acid.
What is the SMILES notation for 3-[N-[(4-ethylmorpholin-2-yl)methyl]anilino]propanoic acid?
The canonical SMILES for 3-[N-[(4-ethylmorpholin-2-yl)methyl]anilino]propanoic acid is CCN1CCOC(CN(CCC(=O)O)c2ccccc2)C1.
What is the InChIKey of 3-[N-[(4-ethylmorpholin-2-yl)methyl]anilino]propanoic acid?
The InChIKey is QPKYYAGNUXSBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-17-10-11-21-15(12-17)13-18(9-8-16(19)20)14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,19,20).
What are the key properties of 3-[N-[(4-ethylmorpholin-2-yl)methyl]anilino]propanoic acid?
3-[N-[(4-ethylmorpholin-2-yl)methyl]anilino]propanoic acid has a molecular weight of 292.38 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-[(4-ethylmorpholin-2-yl)methyl]anilino]propanoic acid is sourced from PubChem (CID 79172488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).