2,5-diacetamidopentanoic acid

C9H16N2O4 — CID 10398396

IUPAC2,5-diacetamidopentanoic acid
SMILESCC(=O)NCCCC(NC(C)=O)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-6(12)10-5-3-4-8(9(14)15)11-7(2)13/h8H,3-5H2,1-2H3,(H,10,12)(H,11,13)(H,14,15)
InChIKeyXUYANFPPYJSBPU-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.51
Rot. Bonds6

About 2,5-diacetamidopentanoic acid

2,5-diacetamidopentanoic acid (PubChem CID 10398396) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2,5-diacetamidopentanoic acid.

Molecular Properties

Compound Name2,5-diacetamidopentanoic acid
PubChem CID10398396
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name2,5-diacetamidopentanoic acid
SMILESCC(=O)NCCCC(NC(C)=O)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-6(12)10-5-3-4-8(9(14)15)11-7(2)13/h8H,3-5H2,1-2H3,(H,10,12)(H,11,13)(H,14,15)
InChIKeyXUYANFPPYJSBPU-UHFFFAOYSA-N
XLogP-0.51
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-6-acetamido-2-[[(2S)-2-acetamidopropanoyl]amino]hexanoic acid
CID 121225479
(2R)-2-[[(2S)-2,6-diacetamidohexanoyl]amino]propanoic acid
CID 5462243
2,6-diacetamidohexanoate
CID 78438708
(2S)-2-[(2-acetamidoacetyl)amino]-5-(carbamoylamino)pentanoic acid
CID 175894860
2-acetamidotetracosanoic acid
CID 13224380
(2R)-6-acetamido-2-(ethylamino)hexanoic acid
CID 89026555
2-(6-acetamidohexanoylamino)hexanoic acid
CID 43469673
(2S)-2-[[(2R)-2-hydroxypropanoyl]amino]-5-[[(2S)-2-hydroxypropanoyl]amino]pentanoic acid
CID 124797786
2-(6-acetamidohexanoylamino)pentanedioic acid
CID 60830462
(2R)-2-acetamidopentanedioic acid
CID 161394708
2-acetamido-5-[[4-[[4-[[4-(butylamino)-4-oxobutyl]amino]-1-carboxy-4-oxobutyl]amino]-4-oxobutyl]amino]-5-oxopentanoic acid
CID 123522191
2-acetamido-6-aminohexanoic acid;2-aminoacetic acid
CID 174935142

Frequently Asked Questions

What is the IUPAC name of 2,5-diacetamidopentanoic acid?
The IUPAC name of 2,5-diacetamidopentanoic acid (CID 10398396) is 2,5-diacetamidopentanoic acid.
What is the SMILES notation for 2,5-diacetamidopentanoic acid?
The canonical SMILES for 2,5-diacetamidopentanoic acid is CC(=O)NCCCC(NC(C)=O)C(=O)O.
What is the InChIKey of 2,5-diacetamidopentanoic acid?
The InChIKey is XUYANFPPYJSBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-6(12)10-5-3-4-8(9(14)15)11-7(2)13/h8H,3-5H2,1-2H3,(H,10,12)(H,11,13)(H,14,15).
What are the key properties of 2,5-diacetamidopentanoic acid?
2,5-diacetamidopentanoic acid has a molecular weight of 216.24 g/mol, XLogP of -0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diacetamidopentanoic acid is sourced from PubChem (CID 10398396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).