(2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid

C12H15N3O5 — CID 107338809

IUPAC(2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid
SMILESCOC(=O)C[C@H](NC(=O)Cc1ccc(N)cn1)C(=O)O
InChIInChI=1S/C12H15N3O5/c1-20-11(17)5-9(12(18)19)15-10(16)4-8-3-2-7(13)6-14-8/h2-3,6,9H,4-5,13H2,1H3,(H,15,16)(H,18,19)/t9-/m0/s1
InChIKeyIVDUULQZSULLIN-VIFPVBQESA-N
MW281.27 g/mol
LogP-0.66
Rot. Bonds6

About (2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid

(2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid (PubChem CID 107338809) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is (2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid
PubChem CID107338809
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name(2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid
SMILESCOC(=O)C[C@H](NC(=O)Cc1ccc(N)cn1)C(=O)O
InChIInChI=1S/C12H15N3O5/c1-20-11(17)5-9(12(18)19)15-10(16)4-8-3-2-7(13)6-14-8/h2-3,6,9H,4-5,13H2,1H3,(H,15,16)(H,18,19)/t9-/m0/s1
InChIKeyIVDUULQZSULLIN-VIFPVBQESA-N
XLogP-0.66
TPSA131.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid with MolForge

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Related Compounds

(2S)-2-[(pyridin-2-yl)formamido]propanoic acid
CID 29891218
3-Methyl-2-(pyridin-2-ylformamido)butanoic acid
CID 3098099
(3S)-4-oxo-3-(pyridin-2-ylformamido)butanoic acid
CID 23645257
2-Amino-3-(3-hydroxy-4-pyridin-2-yl-isoxazol-5-yl)-propionic acid
CID 44386060
2-Amino-3-(pyridine-2-carbonylamino)propanoic acid
CID 44236347
Pyridylacetylglycine
CID 22501452
4-[4-(Dimethylamino)anilino]-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid
CID 4744359
US11504368, Example 22
CID 166594616
2-{[(Tert-butoxy)carbonyl]amino}-2-(pyridin-2-yl)acetic acid
CID 50999134
2-(5-(((Tert-butoxy)carbonyl)amino)pyridin-2-yl)acetic acid
CID 53401498
methyl (2S)-2-(pyridine-2-carbonylamino)propanoate
CID 47337181
methyl (2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-6-[(2-pyridin-2-ylacetyl)amino]hexanoyl]amino]propanoate
CID 52949518

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid?
The IUPAC name of (2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid (CID 107338809) is (2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid.
What is the SMILES notation for (2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid?
The canonical SMILES for (2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid is COC(=O)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]-4-methoxy-4-oxobutanoic acid?
The InChIKey is IVDUULQZSULLIN-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N3O5/c1-20-11(17)5-9(12(18)19)15-10(16)4-8-3-2-7(13)6-14-8/h2-3,6,9H,4-5,13H2,1H3,(H,15,16)(H,18,19)/t9-/m0/s1.
What are the key properties of (2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid?
(2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid has a molecular weight of 281.27 g/mol, XLogP of -0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid is sourced from PubChem (CID 107338809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).