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

C10H15N3O2 — CID 103258248

IUPAC2-amino-3-[[(1R)-1-pyridin-3-ylethyl]amino]propanoic acid
SMILESC[C@@H](NCC(N)C(=O)O)c1cccnc1
InChIInChI=1S/C10H15N3O2/c1-7(8-3-2-4-12-5-8)13-6-9(11)10(14)15/h2-5,7,9,13H,6,11H2,1H3,(H,14,15)/t7-,9?/m1/s1
InChIKeyPPVQWXVMRNRITB-YOXFSPIKSA-N
MW209.25 g/mol
LogP0.14
Rot. Bonds5

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

2-amino-3-[[(1R)-1-pyridin-3-ylethyl]amino]propanoic acid (PubChem CID 103258248) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-amino-3-[[(1R)-1-pyridin-3-ylethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[[(1R)-1-pyridin-3-ylethyl]amino]propanoic acid
PubChem CID103258248
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-amino-3-[[(1R)-1-pyridin-3-ylethyl]amino]propanoic acid
SMILESC[C@@H](NCC(N)C(=O)O)c1cccnc1
InChIInChI=1S/C10H15N3O2/c1-7(8-3-2-4-12-5-8)13-6-9(11)10(14)15/h2-5,7,9,13H,6,11H2,1H3,(H,14,15)/t7-,9?/m1/s1
InChIKeyPPVQWXVMRNRITB-YOXFSPIKSA-N
XLogP0.14
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 93082162
3-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid
CID 81404422
1-phenyl-2-(1-pyridin-3-ylethylamino)ethanol
CID 43499221
2-amino-3-[[(1R)-1-(4-methylphenyl)ethyl]amino]propanoic acid
CID 103258828
5-(1-pyridin-3-ylethylamino)pentanamide
CID 103529775
2-amino-3-[[(1R)-1-(3-bromophenyl)ethyl]amino]propanoic acid
CID 103257311
6-[[(1S)-1-pyridin-3-ylethyl]amino]hexanoic acid
CID 81405026
ethyl 2-[[(1S)-1-pyridin-3-ylethyl]amino]acetate
CID 81405022
2-amino-3-pyridin-3-ylbutanoic acid
CID 83906430
2-amino-N-(1-pyridin-3-ylethyl)pentanamide
CID 43650302
4-[(1-pyridin-3-ylethylamino)methyl]benzoic acid
CID 62216414
(2R)-2-amino-N-[(1R)-1-pyridin-3-ylethyl]butanediamide
CID 93341134

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[(1R)-1-pyridin-3-ylethyl]amino]propanoic acid?
The IUPAC name of 2-amino-3-[[(1R)-1-pyridin-3-ylethyl]amino]propanoic acid (CID 103258248) is 2-amino-3-[[(1R)-1-pyridin-3-ylethyl]amino]propanoic acid.
What is the SMILES notation for 2-amino-3-[[(1R)-1-pyridin-3-ylethyl]amino]propanoic acid?
The canonical SMILES for 2-amino-3-[[(1R)-1-pyridin-3-ylethyl]amino]propanoic acid is C[C@@H](NCC(N)C(=O)O)c1cccnc1.
What is the InChIKey of 2-amino-3-[[(1R)-1-pyridin-3-ylethyl]amino]propanoic acid?
The InChIKey is PPVQWXVMRNRITB-YOXFSPIKSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7(8-3-2-4-12-5-8)13-6-9(11)10(14)15/h2-5,7,9,13H,6,11H2,1H3,(H,14,15)/t7-,9?/m1/s1.
What are the key properties of 2-amino-3-[[(1R)-1-pyridin-3-ylethyl]amino]propanoic acid?
2-amino-3-[[(1R)-1-pyridin-3-ylethyl]amino]propanoic acid has a molecular weight of 209.25 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[(1R)-1-pyridin-3-ylethyl]amino]propanoic acid is sourced from PubChem (CID 103258248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).