(2R)-2-[(5-tert-butylpyridine-2-carbonyl)amino]propanoic acid

C13H18N2O3 — CID 122107922

IUPAC(2R)-2-[(5-tert-butylpyridine-2-carbonyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)c1ccc(C(C)(C)C)cn1)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-8(12(17)18)15-11(16)10-6-5-9(7-14-10)13(2,3)4/h5-8H,1-4H3,(H,15,16)(H,17,18)/t8-/m1/s1
InChIKeyPPRFWBFMNPENLY-MRVPVSSYSA-N
MW250.30 g/mol
LogP1.58
Rot. Bonds3

About (2R)-2-[(5-tert-butylpyridine-2-carbonyl)amino]propanoic acid

(2R)-2-[(5-tert-butylpyridine-2-carbonyl)amino]propanoic acid (PubChem CID 122107922) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2R)-2-[(5-tert-butylpyridine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-tert-butylpyridine-2-carbonyl)amino]propanoic acid
PubChem CID122107922
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(2R)-2-[(5-tert-butylpyridine-2-carbonyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)c1ccc(C(C)(C)C)cn1)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-8(12(17)18)15-11(16)10-6-5-9(7-14-10)13(2,3)4/h5-8H,1-4H3,(H,15,16)(H,17,18)/t8-/m1/s1
InChIKeyPPRFWBFMNPENLY-MRVPVSSYSA-N
XLogP1.58
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-tert-butylpyridine-2-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(5-tert-butylpyridine-2-carbonyl)amino]propanoic acid (CID 122107922) is (2R)-2-[(5-tert-butylpyridine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(5-tert-butylpyridine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(5-tert-butylpyridine-2-carbonyl)amino]propanoic acid is C[C@@H](NC(=O)c1ccc(C(C)(C)C)cn1)C(=O)O.
What is the InChIKey of (2R)-2-[(5-tert-butylpyridine-2-carbonyl)amino]propanoic acid?
The InChIKey is PPRFWBFMNPENLY-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8(12(17)18)15-11(16)10-6-5-9(7-14-10)13(2,3)4/h5-8H,1-4H3,(H,15,16)(H,17,18)/t8-/m1/s1.
What are the key properties of (2R)-2-[(5-tert-butylpyridine-2-carbonyl)amino]propanoic acid?
(2R)-2-[(5-tert-butylpyridine-2-carbonyl)amino]propanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-tert-butylpyridine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 122107922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).