(2R)-2-amino-3-(5-methyl-3-pyridinyl)propanoic acid;dihydrochloride

C9H14Cl2N2O2 — CID 162344222

IUPAC(2R)-2-amino-3-(5-methyl-3-pyridinyl)propanoic acid;dihydrochloride
SMILESCc1cncc(C[C@@H](N)C(=O)O)c1.Cl.Cl
InChIInChI=1S/C9H12N2O2.2ClH/c1-6-2-7(5-11-4-6)3-8(10)9(12)13;;/h2,4-5,8H,3,10H2,1H3,(H,12,13);2*1H/t8-;;/m1../s1
InChIKeyJJKLYQLSLGCWKK-YCBDHFTFSA-N
MW253.13 g/mol
LogP1.19
Rot. Bonds3

About (2R)-2-amino-3-(5-methyl-3-pyridinyl)propanoic acid;dihydrochloride

(2R)-2-amino-3-(5-methyl-3-pyridinyl)propanoic acid;dihydrochloride (PubChem CID 162344222) has the molecular formula C9H14Cl2N2O2 and a molecular weight of 253.13 g/mol. Its IUPAC name is (2R)-2-amino-3-(5-methyl-3-pyridinyl)propanoic acid;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-3-(5-methyl-3-pyridinyl)propanoic acid;dihydrochloride
PubChem CID162344222
Molecular FormulaC9H14Cl2N2O2
Molecular Weight253.13 g/mol
Exact Mass252.04
IUPAC Name(2R)-2-amino-3-(5-methyl-3-pyridinyl)propanoic acid;dihydrochloride
SMILESCc1cncc(C[C@@H](N)C(=O)O)c1.Cl.Cl
InChIInChI=1S/C9H12N2O2.2ClH/c1-6-2-7(5-11-4-6)3-8(10)9(12)13;;/h2,4-5,8H,3,10H2,1H3,(H,12,13);2*1H/t8-;;/m1../s1
InChIKeyJJKLYQLSLGCWKK-YCBDHFTFSA-N
XLogP1.19
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(5-methyl-3-pyridinyl)propanoic acid
CID 55282394
2-amino-3-(5-amino-3-pyridinyl)propanoic acid
CID 55283262
2-amino-3-(5-sulfanyl-3-pyridinyl)propanoic acid
CID 139022717
(2R)-2-amino-3-(5-methoxy-3-pyridinyl)propanoic acid
CID 55268885
(2R)-2-amino-N-[(5-methyl-3-pyridinyl)methyl]propanamide
CID 131176705
(2S)-2-amino-3-(5-phenyl-3-pyridinyl)propanoic acid
CID 169025030
methyl 2-bromo-3-(5-methyl-3-pyridinyl)propanoate
CID 107586803
2-[(3-methylphenyl)methyl]-3-(5-methyl-3-pyridinyl)propanoic acid
CID 102877599
(2S)-1-(5-methyl-3-pyridinyl)propan-2-ol
CID 75406793
2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide
CID 172898206
2-[(5-methyl-3-pyridinyl)methylsulfinyl]propanoic acid
CID 102878240
sodium;(2S)-2-amino-3-(4-methylphenyl)propanoic acid;hydroxide
CID 160538956

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(5-methyl-3-pyridinyl)propanoic acid;dihydrochloride?
The IUPAC name of (2R)-2-amino-3-(5-methyl-3-pyridinyl)propanoic acid;dihydrochloride (CID 162344222) is (2R)-2-amino-3-(5-methyl-3-pyridinyl)propanoic acid;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-3-(5-methyl-3-pyridinyl)propanoic acid;dihydrochloride?
The canonical SMILES for (2R)-2-amino-3-(5-methyl-3-pyridinyl)propanoic acid;dihydrochloride is Cc1cncc(C[C@@H](N)C(=O)O)c1.Cl.Cl.
What is the InChIKey of (2R)-2-amino-3-(5-methyl-3-pyridinyl)propanoic acid;dihydrochloride?
The InChIKey is JJKLYQLSLGCWKK-YCBDHFTFSA-N. The full InChI is InChI=1S/C9H12N2O2.2ClH/c1-6-2-7(5-11-4-6)3-8(10)9(12)13;;/h2,4-5,8H,3,10H2,1H3,(H,12,13);2*1H/t8-;;/m1../s1.
What are the key properties of (2R)-2-amino-3-(5-methyl-3-pyridinyl)propanoic acid;dihydrochloride?
(2R)-2-amino-3-(5-methyl-3-pyridinyl)propanoic acid;dihydrochloride has a molecular weight of 253.13 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(5-methyl-3-pyridinyl)propanoic acid;dihydrochloride is sourced from PubChem (CID 162344222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).