methyl 1-[[2-(methylamino)acetyl]amino]cyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid

C12H19F3N2O5 — CID 71779096

IUPACmethyl 1-[[2-(methylamino)acetyl]amino]cyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid
SMILESCNCC(=O)NC1(C(=O)OC)CCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H18N2O3.C2HF3O2/c1-11-7-8(13)12-10(9(14)15-2)5-3-4-6-10;3-2(4,5)1(6)7/h11H,3-7H2,1-2H3,(H,12,13);(H,6,7)
InChIKeyHVCJBZAKACFFSH-UHFFFAOYSA-N
MW328.29 g/mol
LogP0.44
Rot. Bonds4

About methyl 1-[[2-(methylamino)acetyl]amino]cyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid

methyl 1-[[2-(methylamino)acetyl]amino]cyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid (PubChem CID 71779096) has the molecular formula C12H19F3N2O5 and a molecular weight of 328.29 g/mol. Its IUPAC name is methyl 1-[[2-(methylamino)acetyl]amino]cyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namemethyl 1-[[2-(methylamino)acetyl]amino]cyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid
PubChem CID71779096
Molecular FormulaC12H19F3N2O5
Molecular Weight328.29 g/mol
Exact Mass328.12
IUPAC Namemethyl 1-[[2-(methylamino)acetyl]amino]cyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid
SMILESCNCC(=O)NC1(C(=O)OC)CCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H18N2O3.C2HF3O2/c1-11-7-8(13)12-10(9(14)15-2)5-3-4-6-10;3-2(4,5)1(6)7/h11H,3-7H2,1-2H3,(H,12,13);(H,6,7)
InChIKeyHVCJBZAKACFFSH-UHFFFAOYSA-N
XLogP0.44
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[2-(methylamino)acetyl]amino]cyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid?
The IUPAC name of methyl 1-[[2-(methylamino)acetyl]amino]cyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid (CID 71779096) is methyl 1-[[2-(methylamino)acetyl]amino]cyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for methyl 1-[[2-(methylamino)acetyl]amino]cyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid?
The canonical SMILES for methyl 1-[[2-(methylamino)acetyl]amino]cyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid is CNCC(=O)NC1(C(=O)OC)CCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of methyl 1-[[2-(methylamino)acetyl]amino]cyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid?
The InChIKey is HVCJBZAKACFFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3.C2HF3O2/c1-11-7-8(13)12-10(9(14)15-2)5-3-4-6-10;3-2(4,5)1(6)7/h11H,3-7H2,1-2H3,(H,12,13);(H,6,7).
What are the key properties of methyl 1-[[2-(methylamino)acetyl]amino]cyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid?
methyl 1-[[2-(methylamino)acetyl]amino]cyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid has a molecular weight of 328.29 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[2-(methylamino)acetyl]amino]cyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 71779096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).