2-acetamido-4-pyridin-4-ylbutanoic acid

C11H14N2O3 — CID 18975889

IUPAC2-acetamido-4-pyridin-4-ylbutanoic acid
SMILESCC(=O)NC(CCc1ccncc1)C(=O)O
InChIInChI=1S/C11H14N2O3/c1-8(14)13-10(11(15)16)3-2-9-4-6-12-7-5-9/h4-7,10H,2-3H2,1H3,(H,13,14)(H,15,16)
InChIKeyZIARBLDMMKBDNI-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.60
Rot. Bonds5

About 2-acetamido-4-pyridin-4-ylbutanoic acid

2-acetamido-4-pyridin-4-ylbutanoic acid (PubChem CID 18975889) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-acetamido-4-pyridin-4-ylbutanoic acid.

Molecular Properties

Compound Name2-acetamido-4-pyridin-4-ylbutanoic acid
PubChem CID18975889
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-acetamido-4-pyridin-4-ylbutanoic acid
SMILESCC(=O)NC(CCc1ccncc1)C(=O)O
InChIInChI=1S/C11H14N2O3/c1-8(14)13-10(11(15)16)3-2-9-4-6-12-7-5-9/h4-7,10H,2-3H2,1H3,(H,13,14)(H,15,16)
InChIKeyZIARBLDMMKBDNI-UHFFFAOYSA-N
XLogP0.60
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2,2-diphenylacetyl)amino]-4-pyridin-4-ylbutanoic acid
CID 70278068
2-acetamido-N-(2-pyridin-4-ylethyl)-3-sulfanylpropanamide
CID 107769161
(2R)-2-acetamido-3-(pyridin-4-ylmethylsulfonyl)propanoic acid
CID 107775072
(2R)-4-phenyl-2-(pyridin-4-ylcarbamoylamino)butanoic acid
CID 146096385
(2S)-2-acetamido-7-phenylheptanoic acid
CID 129362724
(2S)-2-acetamido-4-phenylbutanoate
CID 86308206
2-acetamido-4-phenylbutanamide
CID 67451841
4-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]butanoic acid
CID 61227572
2-acetamido-3-[[(1S)-1-pyridin-4-ylethyl]amino]propanoic acid
CID 81410723
2-[(3,3-difluoro-2-phenylpropyl)carbamoylamino]-4-pyridin-4-ylbutanoic acid
CID 166274408
(2S,3R,4R)-3-hydroxy-4-methyl-2-(methylamino)-6-pyridin-4-ylhexanoic acid
CID 122585936
5-amino-5-oxo-2-(2-pyridin-4-ylethylcarbamoylamino)pentanoic acid
CID 61204807

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-4-pyridin-4-ylbutanoic acid?
The IUPAC name of 2-acetamido-4-pyridin-4-ylbutanoic acid (CID 18975889) is 2-acetamido-4-pyridin-4-ylbutanoic acid.
What is the SMILES notation for 2-acetamido-4-pyridin-4-ylbutanoic acid?
The canonical SMILES for 2-acetamido-4-pyridin-4-ylbutanoic acid is CC(=O)NC(CCc1ccncc1)C(=O)O.
What is the InChIKey of 2-acetamido-4-pyridin-4-ylbutanoic acid?
The InChIKey is ZIARBLDMMKBDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8(14)13-10(11(15)16)3-2-9-4-6-12-7-5-9/h4-7,10H,2-3H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-acetamido-4-pyridin-4-ylbutanoic acid?
2-acetamido-4-pyridin-4-ylbutanoic acid has a molecular weight of 222.24 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-4-pyridin-4-ylbutanoic acid is sourced from PubChem (CID 18975889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).