(2R)-3-(2,3-dihydro-1H-inden-5-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid

C14H14F3NO3 — CID 167734734

IUPAC(2R)-3-(2,3-dihydro-1H-inden-5-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
SMILESO=C(O)[C@@H](Cc1ccc2c(c1)CCC2)NC(=O)C(F)(F)F
InChIInChI=1S/C14H14F3NO3/c15-14(16,17)13(21)18-11(12(19)20)7-8-4-5-9-2-1-3-10(9)6-8/h4-6,11H,1-3,7H2,(H,18,21)(H,19,20)/t11-/m1/s1
InChIKeyPPDKYSVJVIFZIW-LLVKDONJSA-N
MW301.26 g/mol
LogP1.85
Rot. Bonds4

About (2R)-3-(2,3-dihydro-1H-inden-5-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid

(2R)-3-(2,3-dihydro-1H-inden-5-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid (PubChem CID 167734734) has the molecular formula C14H14F3NO3 and a molecular weight of 301.26 g/mol. Its IUPAC name is (2R)-3-(2,3-dihydro-1H-inden-5-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-(2,3-dihydro-1H-inden-5-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
PubChem CID167734734
Molecular FormulaC14H14F3NO3
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Name(2R)-3-(2,3-dihydro-1H-inden-5-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
SMILESO=C(O)[C@@H](Cc1ccc2c(c1)CCC2)NC(=O)C(F)(F)F
InChIInChI=1S/C14H14F3NO3/c15-14(16,17)13(21)18-11(12(19)20)7-8-4-5-9-2-1-3-10(9)6-8/h4-6,11H,1-3,7H2,(H,18,21)(H,19,20)/t11-/m1/s1
InChIKeyPPDKYSVJVIFZIW-LLVKDONJSA-N
XLogP1.85
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-3-(2,3-dihydro-1H-inden-5-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid with MolForge

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Related Compounds

(2R)-3-(2,3-dihydro-1H-inden-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 167742435
(2R)-3-(2,3-dihydro-1H-inden-5-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 167714561
(2S)-3-(4-nitrophenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 54228721
2-(2,3-dihydro-1H-inden-5-ylmethylamino)butanedioic acid
CID 115144370
3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoic acid
CID 82350821
3-(2,3-dihydro-1H-inden-5-yl)-2,2-difluoropropanoic acid
CID 116838219
2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]propanoic acid
CID 43239418
3-(2,4-dimethylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 167740736
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethoxy]phenyl]propanoic acid
CID 118250076
3-(2,3-dihydro-1H-inden-5-yl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 115865082
(2S)-2-(2,3-dihydro-1H-indene-5-carbonylamino)butanedioic acid
CID 112732992
2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2,3-dihydro-1H-inden-5-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid?
The IUPAC name of (2R)-3-(2,3-dihydro-1H-inden-5-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid (CID 167734734) is (2R)-3-(2,3-dihydro-1H-inden-5-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid.
What is the SMILES notation for (2R)-3-(2,3-dihydro-1H-inden-5-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid?
The canonical SMILES for (2R)-3-(2,3-dihydro-1H-inden-5-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid is O=C(O)[C@@H](Cc1ccc2c(c1)CCC2)NC(=O)C(F)(F)F.
What is the InChIKey of (2R)-3-(2,3-dihydro-1H-inden-5-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid?
The InChIKey is PPDKYSVJVIFZIW-LLVKDONJSA-N. The full InChI is InChI=1S/C14H14F3NO3/c15-14(16,17)13(21)18-11(12(19)20)7-8-4-5-9-2-1-3-10(9)6-8/h4-6,11H,1-3,7H2,(H,18,21)(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-3-(2,3-dihydro-1H-inden-5-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid?
(2R)-3-(2,3-dihydro-1H-inden-5-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid has a molecular weight of 301.26 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2,3-dihydro-1H-inden-5-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid is sourced from PubChem (CID 167734734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).