(3R)-3-amino-3-(6-methyl-3-pyridinyl)propanoic acid

C9H12N2O2 — CID 55293917

IUPAC(3R)-3-amino-3-(6-methyl-3-pyridinyl)propanoic acid
SMILESCc1ccc([C@H](N)CC(=O)O)cn1
InChIInChI=1S/C9H12N2O2/c1-6-2-3-7(5-11-6)8(10)4-9(12)13/h2-3,5,8H,4,10H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyJYDYKSGHXXIWCC-MRVPVSSYSA-N
MW180.21 g/mol
LogP0.86
Rot. Bonds3

About (3R)-3-amino-3-(6-methyl-3-pyridinyl)propanoic acid

(3R)-3-amino-3-(6-methyl-3-pyridinyl)propanoic acid (PubChem CID 55293917) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is (3R)-3-amino-3-(6-methyl-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-(6-methyl-3-pyridinyl)propanoic acid
PubChem CID55293917
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name(3R)-3-amino-3-(6-methyl-3-pyridinyl)propanoic acid
SMILESCc1ccc([C@H](N)CC(=O)O)cn1
InChIInChI=1S/C9H12N2O2/c1-6-2-3-7(5-11-6)8(10)4-9(12)13/h2-3,5,8H,4,10H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyJYDYKSGHXXIWCC-MRVPVSSYSA-N
XLogP0.86
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 7016830
3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 18000263
3-amino-3-(6-phenyl-3-pyridinyl)propanoic acid
CID 156612944
3-(dimethylamino)-3-(6-methyl-3-pyridinyl)propanoic acid
CID 83834120
(2S)-2-amino-2-(6-methyl-3-pyridinyl)ethanol;dihydrochloride
CID 67034159
3-amino-3-(2,6-dimethyl-3-pyridinyl)propanoic acid
CID 55296014
(3R)-3-amino-3-(6-nitro-3-pyridinyl)propanoic acid
CID 165347731
3-cyclopropyl-3-(6-methyl-3-pyridinyl)propanoic acid
CID 83819863
3-amino-3-(6-fluoro-5-methyl-3-pyridinyl)propanoic acid
CID 55272910
3-(6-methyl-3-pyridinyl)-3-piperidin-1-ylpropanoic acid
CID 104823824
N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]acetamide
CID 100987523
methyl 4-amino-3-(6-methyl-3-pyridinyl)pentanoate
CID 104823955

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(6-methyl-3-pyridinyl)propanoic acid?
The IUPAC name of (3R)-3-amino-3-(6-methyl-3-pyridinyl)propanoic acid (CID 55293917) is (3R)-3-amino-3-(6-methyl-3-pyridinyl)propanoic acid.
What is the SMILES notation for (3R)-3-amino-3-(6-methyl-3-pyridinyl)propanoic acid?
The canonical SMILES for (3R)-3-amino-3-(6-methyl-3-pyridinyl)propanoic acid is Cc1ccc([C@H](N)CC(=O)O)cn1.
What is the InChIKey of (3R)-3-amino-3-(6-methyl-3-pyridinyl)propanoic acid?
The InChIKey is JYDYKSGHXXIWCC-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-2-3-7(5-11-6)8(10)4-9(12)13/h2-3,5,8H,4,10H2,1H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (3R)-3-amino-3-(6-methyl-3-pyridinyl)propanoic acid?
(3R)-3-amino-3-(6-methyl-3-pyridinyl)propanoic acid has a molecular weight of 180.21 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(6-methyl-3-pyridinyl)propanoic acid is sourced from PubChem (CID 55293917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).