2-[[(1S)-1-pyridin-4-ylethyl]amino]propanoic acid

C10H14N2O2 — CID 81405988

IUPAC2-[[(1S)-1-pyridin-4-ylethyl]amino]propanoic acid
SMILESCC(N[C@@H](C)c1ccncc1)C(=O)O
InChIInChI=1S/C10H14N2O2/c1-7(12-8(2)10(13)14)9-3-5-11-6-4-9/h3-8,12H,1-2H3,(H,13,14)/t7-,8?/m0/s1
InChIKeyZLWUFKBRSWNVGX-JAMMHHFISA-N
MW194.23 g/mol
LogP1.21
Rot. Bonds4

About 2-[[(1S)-1-pyridin-4-ylethyl]amino]propanoic acid

2-[[(1S)-1-pyridin-4-ylethyl]amino]propanoic acid (PubChem CID 81405988) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-[[(1S)-1-pyridin-4-ylethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[(1S)-1-pyridin-4-ylethyl]amino]propanoic acid
PubChem CID81405988
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-[[(1S)-1-pyridin-4-ylethyl]amino]propanoic acid
SMILESCC(N[C@@H](C)c1ccncc1)C(=O)O
InChIInChI=1S/C10H14N2O2/c1-7(12-8(2)10(13)14)9-3-5-11-6-4-9/h3-8,12H,1-2H3,(H,13,14)/t7-,8?/m0/s1
InChIKeyZLWUFKBRSWNVGX-JAMMHHFISA-N
XLogP1.21
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

3-methyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]butanoic acid
CID 103258930
2-(1-phenylethylamino)propanoic acid;hydrochloride
CID 75479950
N-tert-butyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide
CID 81410714
2-phenyl-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetic acid
CID 103258955
N,N-diethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide
CID 81405715
2-(1-pyridin-4-ylethylamino)pentanoic acid
CID 65055511
1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
(2S)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propan-1-ol
CID 93082825
N-(ethylcarbamoyl)-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide
CID 81406042
N-(2-methylbutan-2-yl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propanamide
CID 81409616
N-(ethylcarbamoyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propanamide
CID 81409955
2-[1-(4-propylphenyl)ethylamino]propanoic acid
CID 54959765

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-pyridin-4-ylethyl]amino]propanoic acid?
The IUPAC name of 2-[[(1S)-1-pyridin-4-ylethyl]amino]propanoic acid (CID 81405988) is 2-[[(1S)-1-pyridin-4-ylethyl]amino]propanoic acid.
What is the SMILES notation for 2-[[(1S)-1-pyridin-4-ylethyl]amino]propanoic acid?
The canonical SMILES for 2-[[(1S)-1-pyridin-4-ylethyl]amino]propanoic acid is CC(N[C@@H](C)c1ccncc1)C(=O)O.
What is the InChIKey of 2-[[(1S)-1-pyridin-4-ylethyl]amino]propanoic acid?
The InChIKey is ZLWUFKBRSWNVGX-JAMMHHFISA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7(12-8(2)10(13)14)9-3-5-11-6-4-9/h3-8,12H,1-2H3,(H,13,14)/t7-,8?/m0/s1.
What are the key properties of 2-[[(1S)-1-pyridin-4-ylethyl]amino]propanoic acid?
2-[[(1S)-1-pyridin-4-ylethyl]amino]propanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-pyridin-4-ylethyl]amino]propanoic acid is sourced from PubChem (CID 81405988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).