4-acetamido-5-oxo-5-(3-oxobutylamino)pentanoic acid

C11H18N2O5 — CID 89197770

IUPAC4-acetamido-5-oxo-5-(3-oxobutylamino)pentanoic acid
SMILESCC(=O)CCNC(=O)C(CCC(=O)O)NC(C)=O
InChIInChI=1S/C11H18N2O5/c1-7(14)5-6-12-11(18)9(13-8(2)15)3-4-10(16)17/h9H,3-6H2,1-2H3,(H,12,18)(H,13,15)(H,16,17)
InChIKeyLLZJKWSQQVDJIT-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.55
Rot. Bonds8

About 4-acetamido-5-oxo-5-(3-oxobutylamino)pentanoic acid

4-acetamido-5-oxo-5-(3-oxobutylamino)pentanoic acid (PubChem CID 89197770) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-acetamido-5-oxo-5-(3-oxobutylamino)pentanoic acid.

Molecular Properties

Compound Name4-acetamido-5-oxo-5-(3-oxobutylamino)pentanoic acid
PubChem CID89197770
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name4-acetamido-5-oxo-5-(3-oxobutylamino)pentanoic acid
SMILESCC(=O)CCNC(=O)C(CCC(=O)O)NC(C)=O
InChIInChI=1S/C11H18N2O5/c1-7(14)5-6-12-11(18)9(13-8(2)15)3-4-10(16)17/h9H,3-6H2,1-2H3,(H,12,18)(H,13,15)(H,16,17)
InChIKeyLLZJKWSQQVDJIT-UHFFFAOYSA-N
XLogP-0.55
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-acetamidopentanedioic acid
CID 161394708
(4S)-4-acetamido-5-hydroxyhex-5-enoic acid
CID 58379239
sodium;(2S)-2-acetamidopentanedioic acid;hydride
CID 174759802
4-acetamido-5-amino-5-oxopentanoic acid
CID 23273726
3-(2-acetamidopent-4-enoylamino)propanoic acid
CID 129260462
2-[[4-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 87414279
(2R)-2-acetamido-N-(4-oxopentyl)octanamide
CID 159459456
magnesium bis((2S)-2-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-hydroxy-5-oxopentanoate)
CID 87992520
(4R)-5-(2-aminoethylamino)-5-oxo-4-(propanoylamino)pentanoic acid;ethane
CID 145215889
5-(2-acetamidoethylamino)-4-[[5-methoxy-2-(methylamino)-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 174184455
4-acetamido-5-[[5-[(2-acetamido-4-carboxybutanoyl)amino]-6-[[6-[[1-[(1-amino-1-oxoheptan-2-yl)amino]-1-oxopropan-2-yl]amino]-5-[2,6-bis[(2-acetamido-4-carboxybutanoyl)amino]hexanoylamino]-6-oxohexyl]amino]-6-oxohexyl]amino]-5-oxopentanoic acid
CID 177097617
(4S)-4-acetamido-5-[[(2S)-1-[[(2S)-1-[[(5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-[[(5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-6-amino-6-oxohexyl]amino]-6-oxohexyl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
CID 176645731

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-5-oxo-5-(3-oxobutylamino)pentanoic acid?
The IUPAC name of 4-acetamido-5-oxo-5-(3-oxobutylamino)pentanoic acid (CID 89197770) is 4-acetamido-5-oxo-5-(3-oxobutylamino)pentanoic acid.
What is the SMILES notation for 4-acetamido-5-oxo-5-(3-oxobutylamino)pentanoic acid?
The canonical SMILES for 4-acetamido-5-oxo-5-(3-oxobutylamino)pentanoic acid is CC(=O)CCNC(=O)C(CCC(=O)O)NC(C)=O.
What is the InChIKey of 4-acetamido-5-oxo-5-(3-oxobutylamino)pentanoic acid?
The InChIKey is LLZJKWSQQVDJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-7(14)5-6-12-11(18)9(13-8(2)15)3-4-10(16)17/h9H,3-6H2,1-2H3,(H,12,18)(H,13,15)(H,16,17).
What are the key properties of 4-acetamido-5-oxo-5-(3-oxobutylamino)pentanoic acid?
4-acetamido-5-oxo-5-(3-oxobutylamino)pentanoic acid has a molecular weight of 258.27 g/mol, XLogP of -0.55, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-5-oxo-5-(3-oxobutylamino)pentanoic acid is sourced from PubChem (CID 89197770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).