2-amino-N-(3-morpholin-4-ylpropyl)acetamide;bis(2,2,2-trifluoroacetic acid)

C13H21F6N3O6 — CID 87723469

IUPAC2-amino-N-(3-morpholin-4-ylpropyl)acetamide;bis(2,2,2-trifluoroacetic acid)
SMILESNCC(=O)NCCCN1CCOCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C9H19N3O2.2C2HF3O2/c10-8-9(13)11-2-1-3-12-4-6-14-7-5-12;2*3-2(4,5)1(6)7/h1-8,10H2,(H,11,13);2*(H,6,7)
InChIKeyDMQAFOMXSSYVSO-UHFFFAOYSA-N
MW429.31 g/mol
LogP0.05
Rot. Bonds5

About 2-amino-N-(3-morpholin-4-ylpropyl)acetamide;bis(2,2,2-trifluoroacetic acid)

2-amino-N-(3-morpholin-4-ylpropyl)acetamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 87723469) has the molecular formula C13H21F6N3O6 and a molecular weight of 429.31 g/mol. Its IUPAC name is 2-amino-N-(3-morpholin-4-ylpropyl)acetamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-amino-N-(3-morpholin-4-ylpropyl)acetamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID87723469
Molecular FormulaC13H21F6N3O6
Molecular Weight429.31 g/mol
Exact Mass429.13
IUPAC Name2-amino-N-(3-morpholin-4-ylpropyl)acetamide;bis(2,2,2-trifluoroacetic acid)
SMILESNCC(=O)NCCCN1CCOCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C9H19N3O2.2C2HF3O2/c10-8-9(13)11-2-1-3-12-4-6-14-7-5-12;2*3-2(4,5)1(6)7/h1-8,10H2,(H,11,13);2*(H,6,7)
InChIKeyDMQAFOMXSSYVSO-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

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-(2-oxopiperazin-1-yl)acetate; trifluoroacetic acid
CID 165456636
1-(Oxolan-3-yl)piperazin-2-one; bis(trifluoroacetic acid)
CID 139022466
Ethyl 4-(2-trifluoroacetamidoethyl)piperazine-1-acetate
CID 53726615
Ethyl 2-[bis[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]acetate
CID 59386384
3-Amino-1-morpholin-4-ylpropan-1-one;2,2,2-trifluoroacetic acid
CID 66994528
1-(2-Methoxy-ethyl)-2-oxopiperazine trifluoroacetic acid salt
CID 67374896
4-(N-methyl-beta-alanyl)morpholine trifluoroacetic acid salt
CID 67765016
3-amino-N-(2-morpholin-4-ylethyl)propanamide;2,2,2-trifluoroacetic acid
CID 87723328
1-[2-(2-Fluoroethoxy)ethyl]piperazine;2,2,2-trifluoroacetic acid
CID 87998446
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
(2S)-3-(difluoromethoxy)-2-[[(2S)-3-(difluoromethoxy)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanoic acid
CID 118236152

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-morpholin-4-ylpropyl)acetamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-amino-N-(3-morpholin-4-ylpropyl)acetamide;bis(2,2,2-trifluoroacetic acid) (CID 87723469) is 2-amino-N-(3-morpholin-4-ylpropyl)acetamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-amino-N-(3-morpholin-4-ylpropyl)acetamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-amino-N-(3-morpholin-4-ylpropyl)acetamide;bis(2,2,2-trifluoroacetic acid) is NCC(=O)NCCCN1CCOCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-N-(3-morpholin-4-ylpropyl)acetamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is DMQAFOMXSSYVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2.2C2HF3O2/c10-8-9(13)11-2-1-3-12-4-6-14-7-5-12;2*3-2(4,5)1(6)7/h1-8,10H2,(H,11,13);2*(H,6,7).
What are the key properties of 2-amino-N-(3-morpholin-4-ylpropyl)acetamide;bis(2,2,2-trifluoroacetic acid)?
2-amino-N-(3-morpholin-4-ylpropyl)acetamide;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 2-amino-N-(3-morpholin-4-ylpropyl)acetamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 87723469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).