6-[(3-hydroxy-2,2-dimethylpropyl)amino]hexanoic acid

C11H23NO3 — CID 115359916

IUPAC6-[(3-hydroxy-2,2-dimethylpropyl)amino]hexanoic acid
SMILESCC(C)(CO)CNCCCCCC(=O)O
InChIInChI=1S/C11H23NO3/c1-11(2,9-13)8-12-7-5-3-4-6-10(14)15/h12-13H,3-9H2,1-2H3,(H,14,15)
InChIKeyZTEKSKVMZRFAPI-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.24
Rot. Bonds9

About 6-[(3-hydroxy-2,2-dimethylpropyl)amino]hexanoic acid

6-[(3-hydroxy-2,2-dimethylpropyl)amino]hexanoic acid (PubChem CID 115359916) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 6-[(3-hydroxy-2,2-dimethylpropyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(3-hydroxy-2,2-dimethylpropyl)amino]hexanoic acid
PubChem CID115359916
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name6-[(3-hydroxy-2,2-dimethylpropyl)amino]hexanoic acid
SMILESCC(C)(CO)CNCCCCCC(=O)O
InChIInChI=1S/C11H23NO3/c1-11(2,9-13)8-12-7-5-3-4-6-10(14)15/h12-13H,3-9H2,1-2H3,(H,14,15)
InChIKeyZTEKSKVMZRFAPI-UHFFFAOYSA-N
XLogP1.24
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.24
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-[(3-hydroxy-2,2-dimethylpropyl)amino]pentanamide
CID 106233905
4-(2,2,4-trimethylpentylamino)butanoic acid
CID 115218817
5-[(2,2-difluoro-3-hydroxypropyl)amino]pentanoic acid
CID 106178221
6-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]hexanoic acid
CID 106247319
11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid
CID 18956800
15-(3-carboxypropylamino)pentadecanoic acid
CID 87379366
2,2-dimethylpropane-1,3-diol;bis(icosanoic acid)
CID 121387968
decanoic acid;2,2-dimethylpropane-1,3-diol
CID 87288017
5-(5-hydroxypentylamino)pentanoic acid
CID 107318223
10-(ethylamino)decanoic acid
CID 57308942
3-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide
CID 81414518
5-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]pentanoic acid
CID 103261470

Frequently Asked Questions

What is the IUPAC name of 6-[(3-hydroxy-2,2-dimethylpropyl)amino]hexanoic acid?
The IUPAC name of 6-[(3-hydroxy-2,2-dimethylpropyl)amino]hexanoic acid (CID 115359916) is 6-[(3-hydroxy-2,2-dimethylpropyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(3-hydroxy-2,2-dimethylpropyl)amino]hexanoic acid?
The canonical SMILES for 6-[(3-hydroxy-2,2-dimethylpropyl)amino]hexanoic acid is CC(C)(CO)CNCCCCCC(=O)O.
What is the InChIKey of 6-[(3-hydroxy-2,2-dimethylpropyl)amino]hexanoic acid?
The InChIKey is ZTEKSKVMZRFAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-11(2,9-13)8-12-7-5-3-4-6-10(14)15/h12-13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 6-[(3-hydroxy-2,2-dimethylpropyl)amino]hexanoic acid?
6-[(3-hydroxy-2,2-dimethylpropyl)amino]hexanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.24, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-hydroxy-2,2-dimethylpropyl)amino]hexanoic acid is sourced from PubChem (CID 115359916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).