N-[(2S)-2-amino-3-cyclopropylpropyl]-2,2,2-trifluoroacetamide

C8H13F3N2O — CID 88941910

IUPACN-[(2S)-2-amino-3-cyclopropylpropyl]-2,2,2-trifluoroacetamide
SMILESN[C@H](CNC(=O)C(F)(F)F)CC1CC1
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)7(14)13-4-6(12)3-5-1-2-5/h5-6H,1-4,12H2,(H,13,14)/t6-/m0/s1
InChIKeyMLVOALURQNAWPI-LURJTMIESA-N
MW210.20 g/mol
LogP0.79
Rot. Bonds4

About N-[(2S)-2-amino-3-cyclopropylpropyl]-2,2,2-trifluoroacetamide

N-[(2S)-2-amino-3-cyclopropylpropyl]-2,2,2-trifluoroacetamide (PubChem CID 88941910) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is N-[(2S)-2-amino-3-cyclopropylpropyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-3-cyclopropylpropyl]-2,2,2-trifluoroacetamide
PubChem CID88941910
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC NameN-[(2S)-2-amino-3-cyclopropylpropyl]-2,2,2-trifluoroacetamide
SMILESN[C@H](CNC(=O)C(F)(F)F)CC1CC1
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)7(14)13-4-6(12)3-5-1-2-5/h5-6H,1-4,12H2,(H,13,14)/t6-/m0/s1
InChIKeyMLVOALURQNAWPI-LURJTMIESA-N
XLogP0.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-3-cyclopropylpropyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(2S)-2-amino-3-cyclopropylpropyl]-2,2,2-trifluoroacetamide (CID 88941910) is N-[(2S)-2-amino-3-cyclopropylpropyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(2S)-2-amino-3-cyclopropylpropyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(2S)-2-amino-3-cyclopropylpropyl]-2,2,2-trifluoroacetamide is N[C@H](CNC(=O)C(F)(F)F)CC1CC1.
What is the InChIKey of N-[(2S)-2-amino-3-cyclopropylpropyl]-2,2,2-trifluoroacetamide?
The InChIKey is MLVOALURQNAWPI-LURJTMIESA-N. The full InChI is InChI=1S/C8H13F3N2O/c9-8(10,11)7(14)13-4-6(12)3-5-1-2-5/h5-6H,1-4,12H2,(H,13,14)/t6-/m0/s1.
What are the key properties of N-[(2S)-2-amino-3-cyclopropylpropyl]-2,2,2-trifluoroacetamide?
N-[(2S)-2-amino-3-cyclopropylpropyl]-2,2,2-trifluoroacetamide has a molecular weight of 210.20 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-3-cyclopropylpropyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 88941910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).