tert-butyl 3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanoate

C15H22FNO2 — CID 103257452

IUPACtert-butyl 3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanoate
SMILESC[C@@H](NCCC(=O)OC(C)(C)C)c1ccccc1F
InChIInChI=1S/C15H22FNO2/c1-11(12-7-5-6-8-13(12)16)17-10-9-14(18)19-15(2,3)4/h5-8,11,17H,9-10H2,1-4H3/t11-/m1/s1
InChIKeyMIUXCJVWWUMBIH-LLVKDONJSA-N
MW267.34 g/mol
LogP3.21
Rot. Bonds5

About tert-butyl 3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanoate

tert-butyl 3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanoate (PubChem CID 103257452) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is tert-butyl 3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanoate
PubChem CID103257452
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Nametert-butyl 3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanoate
SMILESC[C@@H](NCCC(=O)OC(C)(C)C)c1ccccc1F
InChIInChI=1S/C15H22FNO2/c1-11(12-7-5-6-8-13(12)16)17-10-9-14(18)19-15(2,3)4/h5-8,11,17H,9-10H2,1-4H3/t11-/m1/s1
InChIKeyMIUXCJVWWUMBIH-LLVKDONJSA-N
XLogP3.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-[1-(2-fluorophenyl)ethylamino]butan-2-yl]carbamate
CID 103901716
3-[1-(2-fluorophenyl)ethylamino]propanoic acid
CID 43087232
tert-butyl 3-(2-fluoroanilino)propanoate
CID 19023587
tert-butyl N-ethyl-N-[3-[1-(2-fluorophenyl)ethylamino]propyl]carbamate
CID 107242692
3-[1-(2-fluorophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 112700216
4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-N,N-dimethylbutanamide
CID 81380915
tert-butyl 3-[1-(5-methylfuran-2-yl)ethylamino]propanoate
CID 103785992
tert-butyl N-[2-[1-(2-fluorophenyl)ethylamino]pentyl]carbamate
CID 107253634
3-[1-(2-fluorophenyl)ethylamino]-2-hydroxy-2-methylpropanoic acid
CID 104644214
tert-butyl 2-[1-(2-methylphenyl)ethylamino]acetate
CID 60679878
(2S)-2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-3-phenylpropanoic acid
CID 10708863
tert-butyl 3-(1-phenylpropylamino)propanoate
CID 103785968

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanoate?
The IUPAC name of tert-butyl 3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanoate (CID 103257452) is tert-butyl 3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanoate.
What is the SMILES notation for tert-butyl 3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanoate?
The canonical SMILES for tert-butyl 3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanoate is C[C@@H](NCCC(=O)OC(C)(C)C)c1ccccc1F.
What is the InChIKey of tert-butyl 3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanoate?
The InChIKey is MIUXCJVWWUMBIH-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-11(12-7-5-6-8-13(12)16)17-10-9-14(18)19-15(2,3)4/h5-8,11,17H,9-10H2,1-4H3/t11-/m1/s1.
What are the key properties of tert-butyl 3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanoate?
tert-butyl 3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanoate has a molecular weight of 267.34 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanoate is sourced from PubChem (CID 103257452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).