tert-butyl (3S)-3-amino-3-(5-ethoxy-3-pyridinyl)propanoate

C14H22N2O3 — CID 54274193

IUPACtert-butyl (3S)-3-amino-3-(5-ethoxy-3-pyridinyl)propanoate
SMILESCCOc1cncc([C@@H](N)CC(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H22N2O3/c1-5-18-11-6-10(8-16-9-11)12(15)7-13(17)19-14(2,3)4/h6,8-9,12H,5,7,15H2,1-4H3/t12-/m0/s1
InChIKeyRMGOPQJWKSNWQN-LBPRGKRZSA-N
MW266.34 g/mol
LogP2.21
Rot. Bonds5

About tert-butyl (3S)-3-amino-3-(5-ethoxy-3-pyridinyl)propanoate

tert-butyl (3S)-3-amino-3-(5-ethoxy-3-pyridinyl)propanoate (PubChem CID 54274193) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl (3S)-3-amino-3-(5-ethoxy-3-pyridinyl)propanoate.

Molecular Properties

Compound Nametert-butyl (3S)-3-amino-3-(5-ethoxy-3-pyridinyl)propanoate
PubChem CID54274193
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nametert-butyl (3S)-3-amino-3-(5-ethoxy-3-pyridinyl)propanoate
SMILESCCOc1cncc([C@@H](N)CC(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H22N2O3/c1-5-18-11-6-10(8-16-9-11)12(15)7-13(17)19-14(2,3)4/h6,8-9,12H,5,7,15H2,1-4H3/t12-/m0/s1
InChIKeyRMGOPQJWKSNWQN-LBPRGKRZSA-N
XLogP2.21
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-amino-3-(5-ethoxy-3-pyridinyl)propanoate?
The IUPAC name of tert-butyl (3S)-3-amino-3-(5-ethoxy-3-pyridinyl)propanoate (CID 54274193) is tert-butyl (3S)-3-amino-3-(5-ethoxy-3-pyridinyl)propanoate.
What is the SMILES notation for tert-butyl (3S)-3-amino-3-(5-ethoxy-3-pyridinyl)propanoate?
The canonical SMILES for tert-butyl (3S)-3-amino-3-(5-ethoxy-3-pyridinyl)propanoate is CCOc1cncc([C@@H](N)CC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl (3S)-3-amino-3-(5-ethoxy-3-pyridinyl)propanoate?
The InChIKey is RMGOPQJWKSNWQN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-5-18-11-6-10(8-16-9-11)12(15)7-13(17)19-14(2,3)4/h6,8-9,12H,5,7,15H2,1-4H3/t12-/m0/s1.
What are the key properties of tert-butyl (3S)-3-amino-3-(5-ethoxy-3-pyridinyl)propanoate?
tert-butyl (3S)-3-amino-3-(5-ethoxy-3-pyridinyl)propanoate has a molecular weight of 266.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-amino-3-(5-ethoxy-3-pyridinyl)propanoate is sourced from PubChem (CID 54274193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).