tert-butyl (2S)-2-amino-2-(1-phenylcyclopropyl)acetate

C15H21NO2 — CID 175653869

IUPACtert-butyl (2S)-2-amino-2-(1-phenylcyclopropyl)acetate
SMILESCC(C)(C)OC(=O)[C@@H](N)C1(c2ccccc2)CC1
InChIInChI=1S/C15H21NO2/c1-14(2,3)18-13(17)12(16)15(9-10-15)11-7-5-4-6-8-11/h4-8,12H,9-10,16H2,1-3H3/t12-/m1/s1
InChIKeyDTIZOHRZVUZUDZ-GFCCVEGCSA-N
MW247.34 g/mol
LogP2.39
Rot. Bonds3

About tert-butyl (2S)-2-amino-2-(1-phenylcyclopropyl)acetate

tert-butyl (2S)-2-amino-2-(1-phenylcyclopropyl)acetate (PubChem CID 175653869) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is tert-butyl (2S)-2-amino-2-(1-phenylcyclopropyl)acetate.

Molecular Properties

Compound Nametert-butyl (2S)-2-amino-2-(1-phenylcyclopropyl)acetate
PubChem CID175653869
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nametert-butyl (2S)-2-amino-2-(1-phenylcyclopropyl)acetate
SMILESCC(C)(C)OC(=O)[C@@H](N)C1(c2ccccc2)CC1
InChIInChI=1S/C15H21NO2/c1-14(2,3)18-13(17)12(16)15(9-10-15)11-7-5-4-6-8-11/h4-8,12H,9-10,16H2,1-3H3/t12-/m1/s1
InChIKeyDTIZOHRZVUZUDZ-GFCCVEGCSA-N
XLogP2.39
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(1-amino-2-oxopropyl)-4-phenylpiperidine-1-carboxylate
CID 66863325
tert-butyl 2-amino-2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate
CID 69414976
methyl 2-hydroxy-2-(1-phenylcyclopropyl)acetate
CID 67810005
methyl 2-amino-2-[1-(3-bromophenyl)cyclopropyl]acetate
CID 115052116
tert-butyl 2-[(1R,3S)-1,3-dimethyl-1,3-diphenylisoindol-2-yl]oxypropanoate
CID 11797520
tert-butyl 3-chloro-3-oxo-2-phenylpropanoate
CID 20529658
benzyl 4-[4-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(3-chlorophenyl)cyclohexyl]-3-oxopiperazine-1-carboxylate
CID 69041796
2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoic acid
CID 67299553
(3S)-3-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-phenylbutanoic acid
CID 122198711
tert-butyl (2R)-3-amino-2-hydroxy-4-phenylbutanoate
CID 68838007
tert-butyl (2S)-2-amino-3-phenoxypropanoate
CID 163342114
tert-butyl (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate
CID 7021090

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-amino-2-(1-phenylcyclopropyl)acetate?
The IUPAC name of tert-butyl (2S)-2-amino-2-(1-phenylcyclopropyl)acetate (CID 175653869) is tert-butyl (2S)-2-amino-2-(1-phenylcyclopropyl)acetate.
What is the SMILES notation for tert-butyl (2S)-2-amino-2-(1-phenylcyclopropyl)acetate?
The canonical SMILES for tert-butyl (2S)-2-amino-2-(1-phenylcyclopropyl)acetate is CC(C)(C)OC(=O)[C@@H](N)C1(c2ccccc2)CC1.
What is the InChIKey of tert-butyl (2S)-2-amino-2-(1-phenylcyclopropyl)acetate?
The InChIKey is DTIZOHRZVUZUDZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21NO2/c1-14(2,3)18-13(17)12(16)15(9-10-15)11-7-5-4-6-8-11/h4-8,12H,9-10,16H2,1-3H3/t12-/m1/s1.
What are the key properties of tert-butyl (2S)-2-amino-2-(1-phenylcyclopropyl)acetate?
tert-butyl (2S)-2-amino-2-(1-phenylcyclopropyl)acetate has a molecular weight of 247.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-amino-2-(1-phenylcyclopropyl)acetate is sourced from PubChem (CID 175653869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).