5-(4-hydroxypentylamino)-5-oxopentanoic acid

C10H19NO4 — CID 106120356

IUPAC5-(4-hydroxypentylamino)-5-oxopentanoic acid
SMILESCC(O)CCCNC(=O)CCCC(=O)O
InChIInChI=1S/C10H19NO4/c1-8(12)4-3-7-11-9(13)5-2-6-10(14)15/h8,12H,2-7H2,1H3,(H,11,13)(H,14,15)
InChIKeyJXPBXICHJYJROB-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.52
Rot. Bonds8

About 5-(4-hydroxypentylamino)-5-oxopentanoic acid

5-(4-hydroxypentylamino)-5-oxopentanoic acid (PubChem CID 106120356) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 5-(4-hydroxypentylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(4-hydroxypentylamino)-5-oxopentanoic acid
PubChem CID106120356
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name5-(4-hydroxypentylamino)-5-oxopentanoic acid
SMILESCC(O)CCCNC(=O)CCCC(=O)O
InChIInChI=1S/C10H19NO4/c1-8(12)4-3-7-11-9(13)5-2-6-10(14)15/h8,12H,2-7H2,1H3,(H,11,13)(H,14,15)
InChIKeyJXPBXICHJYJROB-UHFFFAOYSA-N
XLogP0.52
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.52
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

5-hydroxy-N-[4-(5-hydroxyhexanoylamino)butyl]hexanamide
CID 101050420
6-acetamido-N-(4-hydroxypentyl)hexanamide
CID 107300079
N-(4-hydroxypentyl)-3-(propan-2-ylamino)propanamide
CID 106134458
2-(5-hydroxyhexanoylamino)acetic acid
CID 131802905
N-(4-hydroxypentyl)propanamide
CID 107299540
12-(4-carboxybutanoylamino)dodecanoic acid
CID 141106762
19-hydroxyicosanoic acid
CID 14535566
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
20-hydroxyhenicosanoic acid
CID 19591814
hexanedioic acid;hexane-2,5-diol
CID 160536258
4-[[2-(4-methylpentanoylamino)acetyl]amino]butanoic acid
CID 119171039

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxypentylamino)-5-oxopentanoic acid?
The IUPAC name of 5-(4-hydroxypentylamino)-5-oxopentanoic acid (CID 106120356) is 5-(4-hydroxypentylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(4-hydroxypentylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-(4-hydroxypentylamino)-5-oxopentanoic acid is CC(O)CCCNC(=O)CCCC(=O)O.
What is the InChIKey of 5-(4-hydroxypentylamino)-5-oxopentanoic acid?
The InChIKey is JXPBXICHJYJROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-8(12)4-3-7-11-9(13)5-2-6-10(14)15/h8,12H,2-7H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 5-(4-hydroxypentylamino)-5-oxopentanoic acid?
5-(4-hydroxypentylamino)-5-oxopentanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.52, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxypentylamino)-5-oxopentanoic acid is sourced from PubChem (CID 106120356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).