tert-butyl 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetate

C14H20ClNO2 — CID 81378736

IUPACtert-butyl 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetate
SMILESC[C@@H](NCC(=O)OC(C)(C)C)c1ccccc1Cl
InChIInChI=1S/C14H20ClNO2/c1-10(11-7-5-6-8-12(11)15)16-9-13(17)18-14(2,3)4/h5-8,10,16H,9H2,1-4H3/t10-/m1/s1
InChIKeyVDQCHVOOXDWBJZ-SNVBAGLBSA-N
MW269.77 g/mol
LogP3.33
Rot. Bonds4

About tert-butyl 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetate

tert-butyl 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetate (PubChem CID 81378736) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is tert-butyl 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetate
PubChem CID81378736
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Nametert-butyl 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetate
SMILESC[C@@H](NCC(=O)OC(C)(C)C)c1ccccc1Cl
InChIInChI=1S/C14H20ClNO2/c1-10(11-7-5-6-8-12(11)15)16-9-13(17)18-14(2,3)4/h5-8,10,16H,9H2,1-4H3/t10-/m1/s1
InChIKeyVDQCHVOOXDWBJZ-SNVBAGLBSA-N
XLogP3.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetate?
The IUPAC name of tert-butyl 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetate (CID 81378736) is tert-butyl 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetate is C[C@@H](NCC(=O)OC(C)(C)C)c1ccccc1Cl.
What is the InChIKey of tert-butyl 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetate?
The InChIKey is VDQCHVOOXDWBJZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10(11-7-5-6-8-12(11)15)16-9-13(17)18-14(2,3)4/h5-8,10,16H,9H2,1-4H3/t10-/m1/s1.
What are the key properties of tert-butyl 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetate?
tert-butyl 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetate has a molecular weight of 269.77 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetate is sourced from PubChem (CID 81378736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).