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

C11H14N4O4 — CID 107824603

IUPAC(2S)-4-amino-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-oxobutanoic acid
SMILESNC(=O)C[C@H](NC(=O)Cc1ccc(N)cn1)C(=O)O
InChIInChI=1S/C11H14N4O4/c12-6-1-2-7(14-5-6)3-10(17)15-8(11(18)19)4-9(13)16/h1-2,5,8H,3-4,12H2,(H2,13,16)(H,15,17)(H,18,19)/t8-/m0/s1
InChIKeyKUAVCJLVPCSARA-QMMMGPOBSA-N
MW266.26 g/mol
LogP-1.35
Rot. Bonds6

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

(2S)-4-amino-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-oxobutanoic acid (PubChem CID 107824603) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is (2S)-4-amino-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-4-amino-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-oxobutanoic acid
PubChem CID107824603
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name(2S)-4-amino-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-oxobutanoic acid
SMILESNC(=O)C[C@H](NC(=O)Cc1ccc(N)cn1)C(=O)O
InChIInChI=1S/C11H14N4O4/c12-6-1-2-7(14-5-6)3-10(17)15-8(11(18)19)4-9(13)16/h1-2,5,8H,3-4,12H2,(H2,13,16)(H,15,17)(H,18,19)/t8-/m0/s1
InChIKeyKUAVCJLVPCSARA-QMMMGPOBSA-N
XLogP-1.35
TPSA148.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-1.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-Pyridyl)succinamic acid
CID 697037
2-((Pyridin-2-yl)formamido)acetic acid
CID 11788622
Gaba-picolinoyl-N
CID 1713718
3-Pyridin-2-ylalanine
CID 2761499
Boc-3-(2-pyridyl)-Ala-OH
CID 2734482
3-Pyridin-2-yl-L-alanine
CID 4210406
(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(pyridin-2-yl)propanoic acid
CID 7019139
3-(2-Pyridyl)-D-alanine
CID 7019768
(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-(pyridine-2-carbonylamino)propanoic acid
CID 44236347

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-oxobutanoic acid?
The IUPAC name of (2S)-4-amino-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-oxobutanoic acid (CID 107824603) is (2S)-4-amino-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for (2S)-4-amino-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-oxobutanoic acid?
The canonical SMILES for (2S)-4-amino-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-oxobutanoic acid is NC(=O)C[C@H](NC(=O)Cc1ccc(N)cn1)C(=O)O.
What is the InChIKey of (2S)-4-amino-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-oxobutanoic acid?
The InChIKey is KUAVCJLVPCSARA-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N4O4/c12-6-1-2-7(14-5-6)3-10(17)15-8(11(18)19)4-9(13)16/h1-2,5,8H,3-4,12H2,(H2,13,16)(H,15,17)(H,18,19)/t8-/m0/s1.
What are the key properties of (2S)-4-amino-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-oxobutanoic acid?
(2S)-4-amino-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-oxobutanoic acid has a molecular weight of 266.26 g/mol, XLogP of -1.35, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 107824603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).