3-[(6-acetamido-2-aminohexanoyl)amino]propanoic acid

C11H21N3O4 — CID 175463693

IUPAC3-[(6-acetamido-2-aminohexanoyl)amino]propanoic acid
SMILESCC(=O)NCCCCC(N)C(=O)NCCC(=O)O
InChIInChI=1S/C11H21N3O4/c1-8(15)13-6-3-2-4-9(12)11(18)14-7-5-10(16)17/h9H,2-7,12H2,1H3,(H,13,15)(H,14,18)(H,16,17)
InChIKeyYSUZSPCOUVIXIS-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.79
Rot. Bonds9

About 3-[(6-acetamido-2-aminohexanoyl)amino]propanoic acid

3-[(6-acetamido-2-aminohexanoyl)amino]propanoic acid (PubChem CID 175463693) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[(6-acetamido-2-aminohexanoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(6-acetamido-2-aminohexanoyl)amino]propanoic acid
PubChem CID175463693
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name3-[(6-acetamido-2-aminohexanoyl)amino]propanoic acid
SMILESCC(=O)NCCCCC(N)C(=O)NCCC(=O)O
InChIInChI=1S/C11H21N3O4/c1-8(15)13-6-3-2-4-9(12)11(18)14-7-5-10(16)17/h9H,2-7,12H2,1H3,(H,13,15)(H,14,18)(H,16,17)
InChIKeyYSUZSPCOUVIXIS-UHFFFAOYSA-N
XLogP-0.79
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[(2S)-2,6-diaminohexanoyl]amino]propanoic acid;dihydrochloride
CID 87503662
3-[[(2S)-2,6-diaminohexanoyl]amino]propanoic acid;oxalic acid
CID 87503030
3-[[6-(acetylamino)-2-((113C)methylamino)hexanoyl]amino]propanoic acid
CID 162702217
3-[[6-(acetylamino)-2-[methyl((113C)methyl)amino]hexanoyl](15N)amino](313C)propanoic acid
CID 153498673
3-[[6-(acetylamino)-2-(dimethylamino)(613C)hexanoyl](15N)amino](313C)propanoic acid
CID 153498701
5-acetamido-2-amino-N-[5-(methylamino)-6-oxoheptyl]pentanamide
CID 126757813
4-(2-aminohexanoylamino)butanoic acid
CID 61157473
2-aminobutanedioic acid;3-(2,6-diaminohexanoylamino)propanoic acid
CID 174603133
4-amino-5-(6-hydroxyhexylamino)-5-oxopentanoic acid
CID 107842457
7-[[(2R)-2-aminopentanoyl]amino]heptanoic acid
CID 103869350
6-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
CID 103868717
4-amino-5-[(4-amino-4-oxobutyl)amino]-5-oxopentanoic acid
CID 64890076

Frequently Asked Questions

What is the IUPAC name of 3-[(6-acetamido-2-aminohexanoyl)amino]propanoic acid?
The IUPAC name of 3-[(6-acetamido-2-aminohexanoyl)amino]propanoic acid (CID 175463693) is 3-[(6-acetamido-2-aminohexanoyl)amino]propanoic acid.
What is the SMILES notation for 3-[(6-acetamido-2-aminohexanoyl)amino]propanoic acid?
The canonical SMILES for 3-[(6-acetamido-2-aminohexanoyl)amino]propanoic acid is CC(=O)NCCCCC(N)C(=O)NCCC(=O)O.
What is the InChIKey of 3-[(6-acetamido-2-aminohexanoyl)amino]propanoic acid?
The InChIKey is YSUZSPCOUVIXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-8(15)13-6-3-2-4-9(12)11(18)14-7-5-10(16)17/h9H,2-7,12H2,1H3,(H,13,15)(H,14,18)(H,16,17).
What are the key properties of 3-[(6-acetamido-2-aminohexanoyl)amino]propanoic acid?
3-[(6-acetamido-2-aminohexanoyl)amino]propanoic acid has a molecular weight of 259.31 g/mol, XLogP of -0.79, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-acetamido-2-aminohexanoyl)amino]propanoic acid is sourced from PubChem (CID 175463693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).