tert-butyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate

C13H20N2O2 — CID 81402004

IUPACtert-butyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate
SMILESC[C@H](NCC(=O)OC(C)(C)C)c1ccccn1
InChIInChI=1S/C13H20N2O2/c1-10(11-7-5-6-8-14-11)15-9-12(16)17-13(2,3)4/h5-8,10,15H,9H2,1-4H3/t10-/m0/s1
InChIKeyOKXNXTWKEHKVMI-JTQLQIEISA-N
MW236.31 g/mol
LogP2.07
Rot. Bonds4

About tert-butyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate

tert-butyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate (PubChem CID 81402004) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is tert-butyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate
PubChem CID81402004
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Nametert-butyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate
SMILESC[C@H](NCC(=O)OC(C)(C)C)c1ccccn1
InChIInChI=1S/C13H20N2O2/c1-10(11-7-5-6-8-14-11)15-9-12(16)17-13(2,3)4/h5-8,10,15H,9H2,1-4H3/t10-/m0/s1
InChIKeyOKXNXTWKEHKVMI-JTQLQIEISA-N
XLogP2.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate
CID 81401759
tert-butyl N-propan-2-yl-N-[2-(1-pyridin-2-ylethylamino)ethyl]carbamate
CID 107245661
methyl 3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoate
CID 81407588
methyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate
CID 81401680
tert-butyl N-ethyl-N-[3-(1-pyridin-2-ylethylamino)propyl]carbamate
CID 103878440
tert-butyl 2-[1-(2-methylphenyl)ethylamino]acetate
CID 60679878
tert-butyl 4-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]piperidine-1-carboxylate
CID 97175773
N-methyl-N-propan-2-yl-2-(1-pyridin-2-ylethylamino)acetamide
CID 43396941
N-(2-methylpropyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]acetamide
CID 81406744
2-(tert-butylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81406863
ethyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate
CID 81401378
1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81407338

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate?
The IUPAC name of tert-butyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate (CID 81402004) is tert-butyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate is C[C@H](NCC(=O)OC(C)(C)C)c1ccccn1.
What is the InChIKey of tert-butyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate?
The InChIKey is OKXNXTWKEHKVMI-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(11-7-5-6-8-14-11)15-9-12(16)17-13(2,3)4/h5-8,10,15H,9H2,1-4H3/t10-/m0/s1.
What are the key properties of tert-butyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate?
tert-butyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate has a molecular weight of 236.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate is sourced from PubChem (CID 81402004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).