3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid

C10H14N2O2 — CID 81406743

IUPAC3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid
SMILESC[C@@H](NCCC(=O)O)c1ccccn1
InChIInChI=1S/C10H14N2O2/c1-8(11-7-5-10(13)14)9-4-2-3-6-12-9/h2-4,6,8,11H,5,7H2,1H3,(H,13,14)/t8-/m1/s1
InChIKeyUOGHFOLFRICGDJ-MRVPVSSYSA-N
MW194.23 g/mol
LogP1.21
Rot. Bonds5

About 3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid

3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid (PubChem CID 81406743) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid
PubChem CID81406743
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid
SMILESC[C@@H](NCCC(=O)O)c1ccccn1
InChIInChI=1S/C10H14N2O2/c1-8(11-7-5-10(13)14)9-4-2-3-6-12-9/h2-4,6,8,11H,5,7H2,1H3,(H,13,14)/t8-/m1/s1
InChIKeyUOGHFOLFRICGDJ-MRVPVSSYSA-N
XLogP1.21
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoate
CID 81407588
methyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate
CID 81401680
N-phenyl-3-(1-pyridin-2-ylethylamino)propanamide
CID 119106523
4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid
CID 43529024
ethyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate
CID 81401378
3-(1-phenylethylamino)propanoic acid
CID 2826777
3-(1-pyridin-2-ylethylamino)propan-1-ol
CID 2772086
1-phenyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol
CID 81407252
1-phenyl-2-(1-pyridin-2-ylethylamino)ethanol
CID 43394637
3-[methyl(1-pyridin-2-ylethyl)amino]propanoic acid
CID 65063476
1-(1-pyridin-2-ylethylamino)propan-2-ol
CID 43499405
3-methyl-5-oxo-5-[[(1S)-1-pyridin-2-ylethyl]amino]pentanoic acid
CID 81399842

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid?
The IUPAC name of 3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid (CID 81406743) is 3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid.
What is the SMILES notation for 3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid?
The canonical SMILES for 3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid is C[C@@H](NCCC(=O)O)c1ccccn1.
What is the InChIKey of 3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid?
The InChIKey is UOGHFOLFRICGDJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8(11-7-5-10(13)14)9-4-2-3-6-12-9/h2-4,6,8,11H,5,7H2,1H3,(H,13,14)/t8-/m1/s1.
What are the key properties of 3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid?
3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid is sourced from PubChem (CID 81406743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).