methyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate

C11H16N2O2 — CID 81401680

IUPACmethyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate
SMILESCOC(=O)CCN[C@@H](C)c1ccccn1
InChIInChI=1S/C11H16N2O2/c1-9(10-5-3-4-7-13-10)12-8-6-11(14)15-2/h3-5,7,9,12H,6,8H2,1-2H3/t9-/m0/s1
InChIKeyUEDDJSYTDKSGJN-VIFPVBQESA-N
MW208.26 g/mol
LogP1.30
Rot. Bonds5

About methyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate

methyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate (PubChem CID 81401680) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate
PubChem CID81401680
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namemethyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate
SMILESCOC(=O)CCN[C@@H](C)c1ccccn1
InChIInChI=1S/C11H16N2O2/c1-9(10-5-3-4-7-13-10)12-8-6-11(14)15-2/h3-5,7,9,12H,6,8H2,1-2H3/t9-/m0/s1
InChIKeyUEDDJSYTDKSGJN-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

methyl 3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoate
CID 81407588
ethyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate
CID 81401378
3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid
CID 81406743
ethyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate
CID 81401759
N-phenyl-3-(1-pyridin-2-ylethylamino)propanamide
CID 119106523
methyl 2-bromo-3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate
CID 103258322
tert-butyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate
CID 81402004
3-(1-pyridin-2-ylethylamino)propan-1-ol
CID 2772086
4-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
CID 104647537
2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407440
2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile
CID 81407753
3-(2-methoxyethoxy)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
CID 28720883

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate?
The IUPAC name of methyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate (CID 81401680) is methyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate?
The canonical SMILES for methyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate is COC(=O)CCN[C@@H](C)c1ccccn1.
What is the InChIKey of methyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate?
The InChIKey is UEDDJSYTDKSGJN-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2O2/c1-9(10-5-3-4-7-13-10)12-8-6-11(14)15-2/h3-5,7,9,12H,6,8H2,1-2H3/t9-/m0/s1.
What are the key properties of methyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate?
methyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate 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 methyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate is sourced from PubChem (CID 81401680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).