4-(6-hydroxyhexylamino)pentanoic acid

C11H23NO3 — CID 107849657

IUPAC4-(6-hydroxyhexylamino)pentanoic acid
SMILESCC(CCC(=O)O)NCCCCCCO
InChIInChI=1S/C11H23NO3/c1-10(6-7-11(14)15)12-8-4-2-3-5-9-13/h10,12-13H,2-9H2,1H3,(H,14,15)
InChIKeyRAPOTPOVZCPIBD-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.38
Rot. Bonds10

About 4-(6-hydroxyhexylamino)pentanoic acid

4-(6-hydroxyhexylamino)pentanoic acid (PubChem CID 107849657) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-(6-hydroxyhexylamino)pentanoic acid.

Molecular Properties

Compound Name4-(6-hydroxyhexylamino)pentanoic acid
PubChem CID107849657
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name4-(6-hydroxyhexylamino)pentanoic acid
SMILESCC(CCC(=O)O)NCCCCCCO
InChIInChI=1S/C11H23NO3/c1-10(6-7-11(14)15)12-8-4-2-3-5-9-13/h10,12-13H,2-9H2,1H3,(H,14,15)
InChIKeyRAPOTPOVZCPIBD-UHFFFAOYSA-N
XLogP1.38
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(6-hydroxyhexylamino)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(10R)-10-(2-hydroxyethylamino)undecanoic acid
CID 102119671
(4R)-4-[(4-methoxy-4-oxobutyl)amino]pentanoic acid
CID 87857187
5-(5-methylhexan-2-ylamino)pentanoic acid
CID 103252184
4-(1-hydroxypropan-2-ylamino)butanoic acid
CID 43499958
4-amino-5-(6-hydroxyhexylamino)-5-oxopentanoic acid
CID 107842457
formaldehyde;methanol;18-(pentylamino)nonadecanoic acid
CID 145026869
(4R)-4-(octylamino)pentan-1-ol
CID 98118615
(2S)-2-(3-hydroxypropylamino)pentanedioic acid
CID 87223062
3-(6-hydroxyhexylamino)-N,N-dimethylbutanamide
CID 115906805
4-(2-carbamoyloxyethylamino)pentanoic acid
CID 83209314
3-(octylamino)butan-1-ol
CID 83177243
decanedioic acid;bis(6-methylheptan-1-ol)
CID 175516385

Frequently Asked Questions

What is the IUPAC name of 4-(6-hydroxyhexylamino)pentanoic acid?
The IUPAC name of 4-(6-hydroxyhexylamino)pentanoic acid (CID 107849657) is 4-(6-hydroxyhexylamino)pentanoic acid.
What is the SMILES notation for 4-(6-hydroxyhexylamino)pentanoic acid?
The canonical SMILES for 4-(6-hydroxyhexylamino)pentanoic acid is CC(CCC(=O)O)NCCCCCCO.
What is the InChIKey of 4-(6-hydroxyhexylamino)pentanoic acid?
The InChIKey is RAPOTPOVZCPIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-10(6-7-11(14)15)12-8-4-2-3-5-9-13/h10,12-13H,2-9H2,1H3,(H,14,15).
What are the key properties of 4-(6-hydroxyhexylamino)pentanoic acid?
4-(6-hydroxyhexylamino)pentanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.38, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-hydroxyhexylamino)pentanoic acid is sourced from PubChem (CID 107849657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).