(2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3,3-dimethylbutanoic acid

C13H19N3O3 — CID 107338218

IUPAC(2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@H](NC(=O)Cc1ccc(N)cn1)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-13(2,3)11(12(18)19)16-10(17)6-9-5-4-8(14)7-15-9/h4-5,7,11H,6,14H2,1-3H3,(H,16,17)(H,18,19)/t11-/m1/s1
InChIKeyIOGQSZBMHIPXIF-LLVKDONJSA-N
MW265.31 g/mol
LogP0.82
Rot. Bonds4

About (2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3,3-dimethylbutanoic acid

(2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3,3-dimethylbutanoic acid (PubChem CID 107338218) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3,3-dimethylbutanoic acid
PubChem CID107338218
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name(2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@H](NC(=O)Cc1ccc(N)cn1)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-13(2,3)11(12(18)19)16-10(17)6-9-5-4-8(14)7-15-9/h4-5,7,11H,6,14H2,1-3H3,(H,16,17)(H,18,19)/t11-/m1/s1
InChIKeyIOGQSZBMHIPXIF-LLVKDONJSA-N
XLogP0.82
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3,3-dimethylbutanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3-methylbutanoic acid
CID 107339052
(2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]propanoic acid
CID 107338226
2-(5-amino-2-pyridinyl)-N-tert-butylacetamide
CID 107337327
2-(5-amino-2-pyridinyl)-N-butan-2-ylacetamide
CID 107337332
2-(5-amino-2-pyridinyl)-N-[(1S)-1-phenylethyl]acetamide
CID 107338863
(2S)-4-amino-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-oxobutanoic acid
CID 107824603
2-(5-amino-2-pyridinyl)-N-[1-(4-tert-butylphenyl)ethyl]acetamide
CID 120621513
(2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 107338809
2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-2-methylpropanamide
CID 107338248
2-(5-amino-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 107339002
2-(5-amino-2-pyridinyl)-N-(5-hydroxypentan-2-yl)acetamide
CID 107339254
2-[[2-(3-aminophenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 65350441

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3,3-dimethylbutanoic acid (CID 107338218) is (2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3,3-dimethylbutanoic acid is CC(C)(C)[C@H](NC(=O)Cc1ccc(N)cn1)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3,3-dimethylbutanoic acid?
The InChIKey is IOGQSZBMHIPXIF-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-13(2,3)11(12(18)19)16-10(17)6-9-5-4-8(14)7-15-9/h4-5,7,11H,6,14H2,1-3H3,(H,16,17)(H,18,19)/t11-/m1/s1.
What are the key properties of (2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3,3-dimethylbutanoic acid?
(2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3,3-dimethylbutanoic acid has a molecular weight of 265.31 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 107338218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).