methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]propanoate

C10H16F3N3O4 — CID 60946729

IUPACmethyl 3-[[2-[(2-aminoacetyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]propanoate
SMILESCOC(=O)CCN(CC(F)(F)F)C(=O)CNC(=O)CN
InChIInChI=1S/C10H16F3N3O4/c1-20-9(19)2-3-16(6-10(11,12)13)8(18)5-15-7(17)4-14/h2-6,14H2,1H3,(H,15,17)
InChIKeyDGTSJFIOUYFHAO-UHFFFAOYSA-N
MW299.25 g/mol
LogP-0.98
Rot. Bonds7

About methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]propanoate

methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]propanoate (PubChem CID 60946729) has the molecular formula C10H16F3N3O4 and a molecular weight of 299.25 g/mol. Its IUPAC name is methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-[(2-aminoacetyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]propanoate
PubChem CID60946729
Molecular FormulaC10H16F3N3O4
Molecular Weight299.25 g/mol
Exact Mass299.11
IUPAC Namemethyl 3-[[2-[(2-aminoacetyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]propanoate
SMILESCOC(=O)CCN(CC(F)(F)F)C(=O)CNC(=O)CN
InChIInChI=1S/C10H16F3N3O4/c1-20-9(19)2-3-16(6-10(11,12)13)8(18)5-15-7(17)4-14/h2-6,14H2,1H3,(H,15,17)
InChIKeyDGTSJFIOUYFHAO-UHFFFAOYSA-N
XLogP-0.98
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]propanoate with MolForge

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Related Compounds

Methyl 3-[2-(dimethylamino)acetamido]propanoate
CID 103603748
Methyl 3-[(2-aminoacetyl)amino]propanoate;2,2,2-trifluoroacetic acid
CID 139251186
Putreanine, ethyl ester, bis(pentafluropropionyl)
CID 543740
3-[[2-(Dimethylamino)acetyl]amino]propanamide;2,2,2-trifluoroacetic acid
CID 87130165
(2,2,2-trifluoroacetyl) (2S)-2-[ethyl(methyl)carbamoyl]piperazine-1-carboxylate
CID 146484500
1-(3-Methoxypropyl)piperazin-2-one;2,2,2-trifluoroacetic acid
CID 172797562
Ethyl 2-[[2-[3-[(2,2,2-trifluoroacetyl)amino]propanoylamino]acetyl]amino]acetate
CID 23278173
2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-3-oxopropyl]carbamate
CID 51094325
Methyl 3-[3-aminopropanoyl(2,2,2-trifluoroethyl)amino]propanoate
CID 54872052
Methyl 3-[2-aminopropanoyl(2,2,2-trifluoroethyl)amino]propanoate
CID 54872062
Methyl 3-[[2-(methylamino)acetyl]-(2,2,2-trifluoroethyl)amino]propanoate
CID 54872064
Methyl 3-[2-aminobutanoyl(2,2,2-trifluoroethyl)amino]propanoate
CID 54872075

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]propanoate?
The IUPAC name of methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]propanoate (CID 60946729) is methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]propanoate?
The canonical SMILES for methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]propanoate is COC(=O)CCN(CC(F)(F)F)C(=O)CNC(=O)CN.
What is the InChIKey of methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]propanoate?
The InChIKey is DGTSJFIOUYFHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O4/c1-20-9(19)2-3-16(6-10(11,12)13)8(18)5-15-7(17)4-14/h2-6,14H2,1H3,(H,15,17).
What are the key properties of methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]propanoate?
methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]propanoate has a molecular weight of 299.25 g/mol, XLogP of -0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]propanoate is sourced from PubChem (CID 60946729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).