2-amino-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoic acid

C10H18F3N3O2 — CID 62968090

IUPAC2-amino-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoic acid
SMILESCC(N)(CN1CCN(CC(F)(F)F)CC1)C(=O)O
InChIInChI=1S/C10H18F3N3O2/c1-9(14,8(17)18)6-15-2-4-16(5-3-15)7-10(11,12)13/h2-7,14H2,1H3,(H,17,18)
InChIKeyVRDNGOZGEVAVKL-UHFFFAOYSA-N
MW269.27 g/mol
LogP-0.03
Rot. Bonds4

About 2-amino-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoic acid

2-amino-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoic acid (PubChem CID 62968090) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is 2-amino-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoic acid
PubChem CID62968090
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC Name2-amino-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoic acid
SMILESCC(N)(CN1CCN(CC(F)(F)F)CC1)C(=O)O
InChIInChI=1S/C10H18F3N3O2/c1-9(14,8(17)18)6-15-2-4-16(5-3-15)7-10(11,12)13/h2-7,14H2,1H3,(H,17,18)
InChIKeyVRDNGOZGEVAVKL-UHFFFAOYSA-N
XLogP-0.03
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propanoic acid
CID 62776938
2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanamide
CID 62968267
ethane;1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 143483059
2-(aminomethyl)-4,4-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one
CID 107471862
2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine
CID 64680572
methyl 2-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoate
CID 55141166
2-bromo-2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
CID 114327524
4,4-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-3-one
CID 62968608
3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 71782653
2-amino-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
CID 61260522
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-methylpropanoic acid
CID 115561579
2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanamide
CID 61218639

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-amino-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoic acid (CID 62968090) is 2-amino-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-amino-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-amino-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoic acid is CC(N)(CN1CCN(CC(F)(F)F)CC1)C(=O)O.
What is the InChIKey of 2-amino-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoic acid?
The InChIKey is VRDNGOZGEVAVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c1-9(14,8(17)18)6-15-2-4-16(5-3-15)7-10(11,12)13/h2-7,14H2,1H3,(H,17,18).
What are the key properties of 2-amino-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoic acid?
2-amino-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoic acid has a molecular weight of 269.27 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62968090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).