4-acetamido-5-amino-5-oxopentanoic acid

C7H12N2O4 — CID 23273726

IUPAC4-acetamido-5-amino-5-oxopentanoic acid
SMILESCC(=O)NC(CCC(=O)O)C(N)=O
InChIInChI=1S/C7H12N2O4/c1-4(10)9-5(7(8)13)2-3-6(11)12/h5H,2-3H2,1H3,(H2,8,13)(H,9,10)(H,11,12)
InChIKeyZAFUMUJQGCBVPX-UHFFFAOYSA-N
MW188.18 g/mol
LogP-1.16
Rot. Bonds5

About 4-acetamido-5-amino-5-oxopentanoic acid

4-acetamido-5-amino-5-oxopentanoic acid (PubChem CID 23273726) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 4-acetamido-5-amino-5-oxopentanoic acid.

Molecular Properties

Compound Name4-acetamido-5-amino-5-oxopentanoic acid
PubChem CID23273726
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name4-acetamido-5-amino-5-oxopentanoic acid
SMILESCC(=O)NC(CCC(=O)O)C(N)=O
InChIInChI=1S/C7H12N2O4/c1-4(10)9-5(7(8)13)2-3-6(11)12/h5H,2-3H2,1H3,(H2,8,13)(H,9,10)(H,11,12)
InChIKeyZAFUMUJQGCBVPX-UHFFFAOYSA-N
XLogP-1.16
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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
2-acetamidopentanamide
CID 23273489
4-[[2-[(2-acetamido-4-formyl-5-hydroxypentanoyl)amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoic acid
CID 123990524
(4R)-4-[[2-[[(2R)-2-[[2-[[(2R)-2-[[2-[[(2R)-2-[[2-[[(2R)-2-[(2-acetamido-4-amino-4-oxobutanoyl)amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-5-[(1,4-diamino-1,4-dioxobutan-2-yl)amino]-5-oxopentanoic acid
CID 155280251
2-[[4-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 87414279
5-amino-4-(2,4-dimethylpentanoylamino)-5-oxopentanoic acid
CID 170732658
(4R)-5-amino-4-methyl-5-oxopentanoic acid
CID 170269048
4-hydrazinyl-5-oxohexanoic acid
CID 88944319
(5R)-5-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-[[(2R)-4-carboxy-1-[[(2R)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxohexanoic acid
CID 167162401
(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-amino-5-oxopentanoic acid?
The IUPAC name of 4-acetamido-5-amino-5-oxopentanoic acid (CID 23273726) is 4-acetamido-5-amino-5-oxopentanoic acid.
What is the SMILES notation for 4-acetamido-5-amino-5-oxopentanoic acid?
The canonical SMILES for 4-acetamido-5-amino-5-oxopentanoic acid is CC(=O)NC(CCC(=O)O)C(N)=O.
What is the InChIKey of 4-acetamido-5-amino-5-oxopentanoic acid?
The InChIKey is ZAFUMUJQGCBVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4/c1-4(10)9-5(7(8)13)2-3-6(11)12/h5H,2-3H2,1H3,(H2,8,13)(H,9,10)(H,11,12).
What are the key properties of 4-acetamido-5-amino-5-oxopentanoic acid?
4-acetamido-5-amino-5-oxopentanoic acid has a molecular weight of 188.18 g/mol, XLogP of -1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-5-amino-5-oxopentanoic acid is sourced from PubChem (CID 23273726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).