5-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methylpentanoic acid

C13H19N3O3 — CID 107339460

IUPAC5-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)Cc1ccc(N)cn1
InChIInChI=1S/C13H19N3O3/c1-9(2-5-13(18)19)7-16-12(17)6-11-4-3-10(14)8-15-11/h3-4,8-9H,2,5-7,14H2,1H3,(H,16,17)(H,18,19)
InChIKeyOUKLNMQFIHRYEL-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.82
Rot. Bonds7

About 5-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methylpentanoic acid

5-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methylpentanoic acid (PubChem CID 107339460) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methylpentanoic acid
PubChem CID107339460
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)Cc1ccc(N)cn1
InChIInChI=1S/C13H19N3O3/c1-9(2-5-13(18)19)7-16-12(17)6-11-4-3-10(14)8-15-11/h3-4,8-9H,2,5-7,14H2,1H3,(H,16,17)(H,18,19)
InChIKeyOUKLNMQFIHRYEL-UHFFFAOYSA-N
XLogP0.82
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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

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Related Compounds

2-(5-amino-2-pyridinyl)-N-(2-methylbutyl)acetamide
CID 107338689
5-[[2-(4-aminophenyl)acetyl]amino]-4-methylpentanoic acid
CID 82687958
2-(5-amino-2-pyridinyl)-N-(2-cyanopropyl)acetamide
CID 107338684
2-(5-amino-2-pyridinyl)-N-(2,2-difluoroethyl)acetamide;hydrochloride
CID 120632231
5-[[2-(3-aminophenyl)acetyl]amino]-4-methylpentanoic acid
CID 82689160
2-(5-amino-2-pyridinyl)-N-(2-ethylhexyl)acetamide
CID 107338276
(2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]propanoic acid
CID 107338226
2-(5-amino-2-pyridinyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide
CID 107338304
2-(5-amino-2-pyridinyl)-N-[2-(3-methylbutoxy)ethyl]acetamide
CID 107338579
(2R)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3-methylbutanoic acid
CID 107339052
2-(5-amino-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 107339002
2-(5-amino-2-pyridinyl)-N-butan-2-ylacetamide
CID 107337332

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methylpentanoic acid?
The IUPAC name of 5-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methylpentanoic acid (CID 107339460) is 5-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)Cc1ccc(N)cn1.
What is the InChIKey of 5-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methylpentanoic acid?
The InChIKey is OUKLNMQFIHRYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(2-5-13(18)19)7-16-12(17)6-11-4-3-10(14)8-15-11/h3-4,8-9H,2,5-7,14H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methylpentanoic acid?
5-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methylpentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 0.82, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 107339460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).