ethyl 2-[[(1S)-1-pyridin-3-ylethyl]amino]acetate

C11H16N2O2 — CID 81405022

IUPACethyl 2-[[(1S)-1-pyridin-3-ylethyl]amino]acetate
SMILESCCOC(=O)CN[C@@H](C)c1cccnc1
InChIInChI=1S/C11H16N2O2/c1-3-15-11(14)8-13-9(2)10-5-4-6-12-7-10/h4-7,9,13H,3,8H2,1-2H3/t9-/m0/s1
InChIKeySRYALRFCDUSZRA-VIFPVBQESA-N
MW208.26 g/mol
LogP1.30
Rot. Bonds5

About ethyl 2-[[(1S)-1-pyridin-3-ylethyl]amino]acetate

ethyl 2-[[(1S)-1-pyridin-3-ylethyl]amino]acetate (PubChem CID 81405022) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethyl 2-[[(1S)-1-pyridin-3-ylethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(1S)-1-pyridin-3-ylethyl]amino]acetate
PubChem CID81405022
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Nameethyl 2-[[(1S)-1-pyridin-3-ylethyl]amino]acetate
SMILESCCOC(=O)CN[C@@H](C)c1cccnc1
InChIInChI=1S/C11H16N2O2/c1-3-15-11(14)8-13-9(2)10-5-4-6-12-7-10/h4-7,9,13H,3,8H2,1-2H3/t9-/m0/s1
InChIKeySRYALRFCDUSZRA-VIFPVBQESA-N
XLogP1.30
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-pyridin-3-ylbutanoate
CID 12727116
ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;dihydrochloride
CID 44891224
N-methyl-N-propan-2-yl-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide
CID 81404782
2-[[(1R)-1-pyridin-3-ylethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81404885
2-methylidene-N-(1-pyridin-3-ylethyl)butan-1-amine
CID 66047112
ethyl 3-(propylamino)-3-pyridin-3-ylpropanoate
CID 65235826
ethyl 3-pyridin-3-ylpentanoate
CID 171747994
ethyl 2-[[(1S)-1-(3-bromophenyl)ethyl]amino]acetate
CID 81382026
ethyl 4-(4-methylphenyl)-2-[[2-(1-pyridin-3-ylethylamino)acetyl]amino]thiophene-3-carboxylate
CID 112801780
ethyl 4-phenyl-2-[[2-(1-pyridin-3-ylethylamino)acetyl]amino]thiophene-3-carboxylate
CID 112801816
ethyl (3S,5R)-5-(hydroxyamino)-3,5-dipyridin-3-ylpentanoate
CID 124640185
N-(4-fluorophenyl)-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide
CID 81404886

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(1S)-1-pyridin-3-ylethyl]amino]acetate?
The IUPAC name of ethyl 2-[[(1S)-1-pyridin-3-ylethyl]amino]acetate (CID 81405022) is ethyl 2-[[(1S)-1-pyridin-3-ylethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(1S)-1-pyridin-3-ylethyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(1S)-1-pyridin-3-ylethyl]amino]acetate is CCOC(=O)CN[C@@H](C)c1cccnc1.
What is the InChIKey of ethyl 2-[[(1S)-1-pyridin-3-ylethyl]amino]acetate?
The InChIKey is SRYALRFCDUSZRA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-15-11(14)8-13-9(2)10-5-4-6-12-7-10/h4-7,9,13H,3,8H2,1-2H3/t9-/m0/s1.
What are the key properties of ethyl 2-[[(1S)-1-pyridin-3-ylethyl]amino]acetate?
ethyl 2-[[(1S)-1-pyridin-3-ylethyl]amino]acetate has a molecular weight of 208.26 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(1S)-1-pyridin-3-ylethyl]amino]acetate is sourced from PubChem (CID 81405022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).