(3R)-3-amino-3-(5-methyl-3-pyridinyl)butanoic acid

C10H14N2O2 — CID 55295835

IUPAC(3R)-3-amino-3-(5-methyl-3-pyridinyl)butanoic acid
SMILESCc1cncc([C@](C)(N)CC(=O)O)c1
InChIInChI=1S/C10H14N2O2/c1-7-3-8(6-12-5-7)10(2,11)4-9(13)14/h3,5-6H,4,11H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyZZNNXXJYMOZZCO-SNVBAGLBSA-N
MW194.23 g/mol
LogP1.04
Rot. Bonds3

About (3R)-3-amino-3-(5-methyl-3-pyridinyl)butanoic acid

(3R)-3-amino-3-(5-methyl-3-pyridinyl)butanoic acid (PubChem CID 55295835) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (3R)-3-amino-3-(5-methyl-3-pyridinyl)butanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-(5-methyl-3-pyridinyl)butanoic acid
PubChem CID55295835
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(3R)-3-amino-3-(5-methyl-3-pyridinyl)butanoic acid
SMILESCc1cncc([C@](C)(N)CC(=O)O)c1
InChIInChI=1S/C10H14N2O2/c1-7-3-8(6-12-5-7)10(2,11)4-9(13)14/h3,5-6H,4,11H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyZZNNXXJYMOZZCO-SNVBAGLBSA-N
XLogP1.04
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(5-methyl-3-pyridinyl)butanoic acid?
The IUPAC name of (3R)-3-amino-3-(5-methyl-3-pyridinyl)butanoic acid (CID 55295835) is (3R)-3-amino-3-(5-methyl-3-pyridinyl)butanoic acid.
What is the SMILES notation for (3R)-3-amino-3-(5-methyl-3-pyridinyl)butanoic acid?
The canonical SMILES for (3R)-3-amino-3-(5-methyl-3-pyridinyl)butanoic acid is Cc1cncc([C@](C)(N)CC(=O)O)c1.
What is the InChIKey of (3R)-3-amino-3-(5-methyl-3-pyridinyl)butanoic acid?
The InChIKey is ZZNNXXJYMOZZCO-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-3-8(6-12-5-7)10(2,11)4-9(13)14/h3,5-6H,4,11H2,1-2H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (3R)-3-amino-3-(5-methyl-3-pyridinyl)butanoic acid?
(3R)-3-amino-3-(5-methyl-3-pyridinyl)butanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.04, 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-(5-methyl-3-pyridinyl)butanoic acid is sourced from PubChem (CID 55295835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).