(2S)-2-amino-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanoic acid

C10H17F3N2O2 — CID 177277776

IUPAC(2S)-2-amino-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanoic acid
SMILESN[C@@H](CC1CCN(CC(F)(F)F)CC1)C(=O)O
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)6-15-3-1-7(2-4-15)5-8(14)9(16)17/h7-8H,1-6,14H2,(H,16,17)/t8-/m0/s1
InChIKeyUHVRWUMAHCCDST-QMMMGPOBSA-N
MW254.25 g/mol
LogP1.06
Rot. Bonds4

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

(2S)-2-amino-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanoic acid (PubChem CID 177277776) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is (2S)-2-amino-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanoic acid
PubChem CID177277776
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name(2S)-2-amino-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanoic acid
SMILESN[C@@H](CC1CCN(CC(F)(F)F)CC1)C(=O)O
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)6-15-3-1-7(2-4-15)5-8(14)9(16)17/h7-8H,1-6,14H2,(H,16,17)/t8-/m0/s1
InChIKeyUHVRWUMAHCCDST-QMMMGPOBSA-N
XLogP1.06
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(1-ethylpiperidin-4-yl)propanoic acid
CID 83983041
2-amino-3-cyclopropylpropanoic acid
CID 519178
(2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]propanoic acid
CID 165389159
(2R)-2-hydroxy-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide
CID 129489847
methyl 2-amino-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate
CID 166176346
4-[4-[(2S)-2-amino-2-carboxyethyl]piperidin-1-yl]-4-oxobutanoic acid
CID 177194425
(2S)-2-amino-3,3-dimethyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]butanamide;dihydrochloride
CID 119898422
(2R)-2-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride
CID 119854697
2-amino-3-[1-(3-chloropropanoyl)piperidin-4-yl]propanoic acid
CID 165440343
(2S)-2-amino-3-(4-methylcyclohexyl)propanoic acid
CID 59382839
(2S)-2-amino-3-(4,4-difluorocyclohexyl)propanoic acid;hydrochloride
CID 138958473
methyl 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate
CID 122164232

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanoic acid (CID 177277776) is (2S)-2-amino-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanoic acid is N[C@@H](CC1CCN(CC(F)(F)F)CC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanoic acid?
The InChIKey is UHVRWUMAHCCDST-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c11-10(12,13)6-15-3-1-7(2-4-15)5-8(14)9(16)17/h7-8H,1-6,14H2,(H,16,17)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanoic acid?
(2S)-2-amino-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanoic acid has a molecular weight of 254.25 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 177277776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).