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

C10H14N2O2 — CID 81404422

IUPAC3-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid
SMILESC[C@H](NCCC(=O)O)c1cccnc1
InChIInChI=1S/C10H14N2O2/c1-8(12-6-4-10(13)14)9-3-2-5-11-7-9/h2-3,5,7-8,12H,4,6H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeyXADGNUWXTZKHAK-QMMMGPOBSA-N
MW194.23 g/mol
LogP1.21
Rot. Bonds5

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

3-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid (PubChem CID 81404422) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid
PubChem CID81404422
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid
SMILESC[C@H](NCCC(=O)O)c1cccnc1
InChIInChI=1S/C10H14N2O2/c1-8(12-6-4-10(13)14)9-3-2-5-11-7-9/h2-3,5,7-8,12H,4,6H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeyXADGNUWXTZKHAK-QMMMGPOBSA-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

6-[[(1S)-1-pyridin-3-ylethyl]amino]hexanoic acid
CID 81405026
3-(1-phenylethylamino)propanoic acid
CID 2826777
5-(1-pyridin-3-ylethylamino)pentanamide
CID 103529775
N-methyl-4-[[(1S)-1-pyridin-3-ylethyl]amino]butanamide
CID 81405194
5-oxo-5-[[(1S)-1-pyridin-3-ylethyl]amino]pentanoic acid
CID 81407204
1-phenyl-2-(1-pyridin-3-ylethylamino)ethanol
CID 43499221
2-amino-3-[[(1R)-1-pyridin-3-ylethyl]amino]propanoic acid
CID 103258248
2-[[(1S)-1-pyridin-3-ylethyl]sulfamoyl]acetic acid
CID 81406791
(2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 93082162
4-[(1-pyridin-3-ylethylamino)methyl]benzoic acid
CID 62216414
2-[5-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]thiophen-2-yl]acetic acid
CID 82888377
2-(1-pyridin-3-ylethylcarbamoylamino)pentanedioic acid
CID 61197134

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid?
The IUPAC name of 3-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid (CID 81404422) is 3-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid.
What is the SMILES notation for 3-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid?
The canonical SMILES for 3-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid is C[C@H](NCCC(=O)O)c1cccnc1.
What is the InChIKey of 3-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid?
The InChIKey is XADGNUWXTZKHAK-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8(12-6-4-10(13)14)9-3-2-5-11-7-9/h2-3,5,7-8,12H,4,6H2,1H3,(H,13,14)/t8-/m0/s1.
What are the key properties of 3-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid?
3-[[(1S)-1-pyridin-3-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-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid is sourced from PubChem (CID 81404422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).