3-amino-N-(2-morpholin-4-ylethyl)propanamide;bis(2,2,2-trifluoroacetic acid)

C13H21F6N3O6 — CID 87723328

IUPAC3-amino-N-(2-morpholin-4-ylethyl)propanamide;bis(2,2,2-trifluoroacetic acid)
SMILESNCCC(=O)NCCN1CCOCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C9H19N3O2.2C2HF3O2/c10-2-1-9(13)11-3-4-12-5-7-14-8-6-12;2*3-2(4,5)1(6)7/h1-8,10H2,(H,11,13);2*(H,6,7)
InChIKeyBWFACIGLOJXNDK-UHFFFAOYSA-N
MW429.31 g/mol
LogP0.05
Rot. Bonds5

About 3-amino-N-(2-morpholin-4-ylethyl)propanamide;bis(2,2,2-trifluoroacetic acid)

3-amino-N-(2-morpholin-4-ylethyl)propanamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 87723328) has the molecular formula C13H21F6N3O6 and a molecular weight of 429.31 g/mol. Its IUPAC name is 3-amino-N-(2-morpholin-4-ylethyl)propanamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name3-amino-N-(2-morpholin-4-ylethyl)propanamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID87723328
Molecular FormulaC13H21F6N3O6
Molecular Weight429.31 g/mol
Exact Mass429.13
IUPAC Name3-amino-N-(2-morpholin-4-ylethyl)propanamide;bis(2,2,2-trifluoroacetic acid)
SMILESNCCC(=O)NCCN1CCOCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C9H19N3O2.2C2HF3O2/c10-2-1-9(13)11-3-4-12-5-7-14-8-6-12;2*3-2(4,5)1(6)7/h1-8,10H2,(H,11,13);2*(H,6,7)
InChIKeyBWFACIGLOJXNDK-UHFFFAOYSA-N
XLogP0.05
TPSA142.19 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.31
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-(Azetidine-3-carbonyl)morpholine; trifluoroacetic acid
CID 71298629
2,2,3,3-tetrafluoro-N-(2-morpholin-4-ylethyl)propanamide
CID 3621093
2,2,3,3,3-pentafluoro-N-(2-morpholin-4-ylethyl)propanamide
CID 58855413
3-Amino-1-morpholin-4-ylpropan-1-one;2,2,2-trifluoroacetic acid
CID 66994528
4-(N-methyl-beta-alanyl)morpholine trifluoroacetic acid salt
CID 67765016
3-Morpholin-4-ylpropanamide;2,2,2-trifluoroacetic acid
CID 68771780
2-amino-N-(3-morpholin-4-ylpropyl)acetamide;2,2,2-trifluoroacetic acid
CID 87723469
3-amino-2-methyl-N-(2-morpholin-4-ylethyl)butanamide;2,2,2-trifluoroacetic acid
CID 87723782
4-[2-(2-Hydroxyethoxy)ethyl]-3-[[(2,2,2-trifluoroacetyl)amino]methyl]piperazine-1-carboxylic acid
CID 90043225
2-[[(2,2,2-Trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid
CID 91576156
2,2,2-trifluoroacetic acid;N-[[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]methyl]azetidine-3-carboxamide
CID 146314065
3-[[(2,2,2-Trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid
CID 154299096

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-morpholin-4-ylethyl)propanamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 3-amino-N-(2-morpholin-4-ylethyl)propanamide;bis(2,2,2-trifluoroacetic acid) (CID 87723328) is 3-amino-N-(2-morpholin-4-ylethyl)propanamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 3-amino-N-(2-morpholin-4-ylethyl)propanamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 3-amino-N-(2-morpholin-4-ylethyl)propanamide;bis(2,2,2-trifluoroacetic acid) is NCCC(=O)NCCN1CCOCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 3-amino-N-(2-morpholin-4-ylethyl)propanamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is BWFACIGLOJXNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2.2C2HF3O2/c10-2-1-9(13)11-3-4-12-5-7-14-8-6-12;2*3-2(4,5)1(6)7/h1-8,10H2,(H,11,13);2*(H,6,7).
What are the key properties of 3-amino-N-(2-morpholin-4-ylethyl)propanamide;bis(2,2,2-trifluoroacetic acid)?
3-amino-N-(2-morpholin-4-ylethyl)propanamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 429.31 g/mol, XLogP of 0.05, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-morpholin-4-ylethyl)propanamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 87723328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).