(2R)-2-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride

C10H20Cl2F3N3O — CID 119854697

IUPAC(2R)-2-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride
SMILESC[C@@H](N)C(=O)NCC1CCN(CC(F)(F)F)C1.Cl.Cl
InChIInChI=1S/C10H18F3N3O.2ClH/c1-7(14)9(17)15-4-8-2-3-16(5-8)6-10(11,12)13;;/h7-8H,2-6,14H2,1H3,(H,15,17);2*1H/t7-,8?;;/m1../s1
InChIKeyFCDFYMSQTYCSFU-HMOXCYTFSA-N
MW326.19 g/mol
LogP1.18
Rot. Bonds4

About (2R)-2-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride

(2R)-2-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride (PubChem CID 119854697) has the molecular formula C10H20Cl2F3N3O and a molecular weight of 326.19 g/mol. Its IUPAC name is (2R)-2-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride
PubChem CID119854697
Molecular FormulaC10H20Cl2F3N3O
Molecular Weight326.19 g/mol
Exact Mass325.09
IUPAC Name(2R)-2-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride
SMILESC[C@@H](N)C(=O)NCC1CCN(CC(F)(F)F)C1.Cl.Cl
InChIInChI=1S/C10H18F3N3O.2ClH/c1-7(14)9(17)15-4-8-2-3-16(5-8)6-10(11,12)13;;/h7-8H,2-6,14H2,1H3,(H,15,17);2*1H/t7-,8?;;/m1../s1
InChIKeyFCDFYMSQTYCSFU-HMOXCYTFSA-N
XLogP1.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentanamide
CID 104684171
2-amino-4-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide
CID 62472672
2-amino-2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide;dihydrochloride
CID 120798463
2-amino-2-(4-methylphenyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide;dihydrochloride
CID 120669768
2-amino-3-phenyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride
CID 119854666
(2S)-2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 61146973
2-(2-methylpropyl)-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 110912183
2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide
CID 50989385
(2R)-2-amino-N-[(1-propylpiperidin-4-yl)methyl]propanamide
CID 119861450
1-(4-hydroxy-2-methylpentyl)-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 111454527
(2R)-2-amino-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 119336692
2-amino-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]ethyl]acetamide
CID 60856801

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride?
The IUPAC name of (2R)-2-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride (CID 119854697) is (2R)-2-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride?
The canonical SMILES for (2R)-2-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride is C[C@@H](N)C(=O)NCC1CCN(CC(F)(F)F)C1.Cl.Cl.
What is the InChIKey of (2R)-2-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride?
The InChIKey is FCDFYMSQTYCSFU-HMOXCYTFSA-N. The full InChI is InChI=1S/C10H18F3N3O.2ClH/c1-7(14)9(17)15-4-8-2-3-16(5-8)6-10(11,12)13;;/h7-8H,2-6,14H2,1H3,(H,15,17);2*1H/t7-,8?;;/m1../s1.
What are the key properties of (2R)-2-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride?
(2R)-2-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride has a molecular weight of 326.19 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride is sourced from PubChem (CID 119854697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).