3-[ethyl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]propanoic acid

C13H25N3O4 — CID 114400933

IUPAC3-[ethyl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]propanoic acid
SMILESCCN1CCOC(CNC(=O)N(CC)CCC(=O)O)C1
InChIInChI=1S/C13H25N3O4/c1-3-15-7-8-20-11(10-15)9-14-13(19)16(4-2)6-5-12(17)18/h11H,3-10H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyICRJIXLTUQIWPI-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.21
Rot. Bonds7

About 3-[ethyl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]propanoic acid

3-[ethyl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]propanoic acid (PubChem CID 114400933) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[ethyl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]propanoic acid
PubChem CID114400933
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name3-[ethyl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]propanoic acid
SMILESCCN1CCOC(CNC(=O)N(CC)CCC(=O)O)C1
InChIInChI=1S/C13H25N3O4/c1-3-15-7-8-20-11(10-15)9-14-13(19)16(4-2)6-5-12(17)18/h11H,3-10H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyICRJIXLTUQIWPI-UHFFFAOYSA-N
XLogP0.21
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butan-2-yl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]acetic acid
CID 114400930
5-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid
CID 114400913
3-[(4-ethylmorpholin-2-yl)methylsulfamoyl-methylamino]propanoic acid
CID 114399539
3-[(2S)-4-ethylmorpholin-2-yl]propanoic acid
CID 95426355
3-[(4-ethylmorpholin-2-yl)methylsulfamoyl]propanoic acid
CID 114399530
N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxyacetamide
CID 115629823
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-sulfanylidenepropanamide
CID 114400114
3-[(4-ethylmorpholin-2-yl)methylamino]butanoic acid
CID 114399804
3-[N-[(4-ethylmorpholin-2-yl)methyl]anilino]propanoic acid
CID 79172488
3-[ethyl-[(4-methylmorpholin-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 79070954
4-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 114400938
2-(cyclopropylamino)-N-[(4-ethylmorpholin-2-yl)methyl]acetamide
CID 115976412

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]propanoic acid (CID 114400933) is 3-[ethyl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]propanoic acid is CCN1CCOC(CNC(=O)N(CC)CCC(=O)O)C1.
What is the InChIKey of 3-[ethyl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]propanoic acid?
The InChIKey is ICRJIXLTUQIWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-3-15-7-8-20-11(10-15)9-14-13(19)16(4-2)6-5-12(17)18/h11H,3-10H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 3-[ethyl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]propanoic acid?
3-[ethyl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]propanoic acid has a molecular weight of 287.36 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 114400933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).