4-amino-5-(6-hydroxyhexylamino)-5-oxopentanoic acid

C11H22N2O4 — CID 107842457

IUPAC4-amino-5-(6-hydroxyhexylamino)-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)NCCCCCCO
InChIInChI=1S/C11H22N2O4/c12-9(5-6-10(15)16)11(17)13-7-3-1-2-4-8-14/h9,14H,1-8,12H2,(H,13,17)(H,15,16)
InChIKeyWWMIKARBYGQBJJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.15
Rot. Bonds10

About 4-amino-5-(6-hydroxyhexylamino)-5-oxopentanoic acid

4-amino-5-(6-hydroxyhexylamino)-5-oxopentanoic acid (PubChem CID 107842457) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-amino-5-(6-hydroxyhexylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-(6-hydroxyhexylamino)-5-oxopentanoic acid
PubChem CID107842457
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name4-amino-5-(6-hydroxyhexylamino)-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)NCCCCCCO
InChIInChI=1S/C11H22N2O4/c12-9(5-6-10(15)16)11(17)13-7-3-1-2-4-8-14/h9,14H,1-8,12H2,(H,13,17)(H,15,16)
InChIKeyWWMIKARBYGQBJJ-UHFFFAOYSA-N
XLogP-0.15
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.15
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

(2S)-2-amino-N-(5-hydroxypentyl)pentanamide
CID 107571012
4-amino-5-[(4-amino-4-oxobutyl)amino]-5-oxopentanoic acid
CID 64890076
7-[[(2R)-2-aminopentanoyl]amino]heptanoic acid
CID 103869350
6-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
CID 103868717
18-[(2-amino-4-sulfanylbutanoyl)amino]octadecanoic acid
CID 89495873
4-amino-5-[2-(2-hydroxyethoxy)ethylamino]-5-oxopentanoic acid
CID 64888561
4-amino-5-[4-[methyl(propan-2-yl)amino]butylamino]-5-oxopentanoic acid
CID 64888379
3-[(6-acetamido-2-aminohexanoyl)amino]propanoic acid
CID 175463693
16-[(2-amino-3-sulfanylpropanoyl)amino]hexadecanoic acid
CID 53362588
12-[[2-amino-3-[[2-amino-3-(11-carboxyundecylamino)-3-oxopropyl]disulfanyl]propanoyl]amino]dodecanoic acid
CID 89495848
8-[[2-amino-3-[[2-amino-3-(7-carboxyheptylamino)-3-oxopropyl]disulfanyl]propanoyl]amino]octanoic acid
CID 89495837
14-[[2-amino-3-[[2-amino-3-(13-carboxytridecylamino)-3-oxopropyl]disulfanyl]propanoyl]amino]tetradecanoic acid
CID 129089504

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(6-hydroxyhexylamino)-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-(6-hydroxyhexylamino)-5-oxopentanoic acid (CID 107842457) is 4-amino-5-(6-hydroxyhexylamino)-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-(6-hydroxyhexylamino)-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-(6-hydroxyhexylamino)-5-oxopentanoic acid is NC(CCC(=O)O)C(=O)NCCCCCCO.
What is the InChIKey of 4-amino-5-(6-hydroxyhexylamino)-5-oxopentanoic acid?
The InChIKey is WWMIKARBYGQBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c12-9(5-6-10(15)16)11(17)13-7-3-1-2-4-8-14/h9,14H,1-8,12H2,(H,13,17)(H,15,16).
What are the key properties of 4-amino-5-(6-hydroxyhexylamino)-5-oxopentanoic acid?
4-amino-5-(6-hydroxyhexylamino)-5-oxopentanoic acid has a molecular weight of 246.31 g/mol, XLogP of -0.15, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(6-hydroxyhexylamino)-5-oxopentanoic acid is sourced from PubChem (CID 107842457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).