(2R)-2-amino-3-(4-methyl-2-pyridinyl)propanoic acid

C9H12N2O2 — CID 55293351

IUPAC(2R)-2-amino-3-(4-methyl-2-pyridinyl)propanoic acid
SMILESCc1ccnc(C[C@@H](N)C(=O)O)c1
InChIInChI=1S/C9H12N2O2/c1-6-2-3-11-7(4-6)5-8(10)9(12)13/h2-4,8H,5,10H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyYRWVUIFELULWFC-MRVPVSSYSA-N
MW180.21 g/mol
LogP0.34
Rot. Bonds3

About (2R)-2-amino-3-(4-methyl-2-pyridinyl)propanoic acid

(2R)-2-amino-3-(4-methyl-2-pyridinyl)propanoic acid (PubChem CID 55293351) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-methyl-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-methyl-2-pyridinyl)propanoic acid
PubChem CID55293351
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name(2R)-2-amino-3-(4-methyl-2-pyridinyl)propanoic acid
SMILESCc1ccnc(C[C@@H](N)C(=O)O)c1
InChIInChI=1S/C9H12N2O2/c1-6-2-3-11-7(4-6)5-8(10)9(12)13/h2-4,8H,5,10H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyYRWVUIFELULWFC-MRVPVSSYSA-N
XLogP0.34
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 ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(4-methyl-2-pyridinyl)propanoic acid
CID 55267483
methyl (2S)-2-amino-3-(4-methyl-2-pyridinyl)propanoate
CID 155904663
2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid
CID 55268385
2-amino-3-[4-(1-fluoroethyl)-2-pyridinyl]propanoic acid
CID 18439519
2-amino-3-[4-(2-fluoroethyl)-2-pyridinyl]propanoic acid
CID 69490346
(4-methyl-2-pyridinyl)methylcarbamic acid
CID 155229563
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 46705394
(2S)-2-amino-3-(5-bromo-4-methyl-2-pyridinyl)propanoic acid
CID 131053081
(2S)-2-amino-3-[4-(azidomethyl)-2-pyridinyl]propanoic acid;methane
CID 161110121
2-amino-2-(4-methyl-2-pyridinyl)acetic acid
CID 55293255
2-amino-3-(5-borono-4-methyl-2-pyridinyl)propanoic acid
CID 174030715
2-[(2S)-2,3-dimethylbutyl]-4-methylpyridine
CID 152828234

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-methyl-2-pyridinyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(4-methyl-2-pyridinyl)propanoic acid (CID 55293351) is (2R)-2-amino-3-(4-methyl-2-pyridinyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(4-methyl-2-pyridinyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(4-methyl-2-pyridinyl)propanoic acid is Cc1ccnc(C[C@@H](N)C(=O)O)c1.
What is the InChIKey of (2R)-2-amino-3-(4-methyl-2-pyridinyl)propanoic acid?
The InChIKey is YRWVUIFELULWFC-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-2-3-11-7(4-6)5-8(10)9(12)13/h2-4,8H,5,10H2,1H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-methyl-2-pyridinyl)propanoic acid?
(2R)-2-amino-3-(4-methyl-2-pyridinyl)propanoic acid has a molecular weight of 180.21 g/mol, XLogP of 0.34, 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-(4-methyl-2-pyridinyl)propanoic acid is sourced from PubChem (CID 55293351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).