6-amino-2-(dimethylamino)-2-methylhexanoic acid;4-hydroxy-2-(propylamino)butanoic acid

C16H35N3O5 — CID 174820821

IUPAC6-amino-2-(dimethylamino)-2-methylhexanoic acid;4-hydroxy-2-(propylamino)butanoic acid
SMILESCCCNC(CCO)C(=O)O.CN(C)C(C)(CCCCN)C(=O)O
InChIInChI=1S/C9H20N2O2.C7H15NO3/c1-9(8(12)13,11(2)3)6-4-5-7-10;1-2-4-8-6(3-5-9)7(10)11/h4-7,10H2,1-3H3,(H,12,13);6,8-9H,2-5H2,1H3,(H,10,11)
InChIKeyDXGHDKLURUQVCJ-UHFFFAOYSA-N
MW349.47 g/mol
LogP0.34
Rot. Bonds12

About 6-amino-2-(dimethylamino)-2-methylhexanoic acid;4-hydroxy-2-(propylamino)butanoic acid

6-amino-2-(dimethylamino)-2-methylhexanoic acid;4-hydroxy-2-(propylamino)butanoic acid (PubChem CID 174820821) has the molecular formula C16H35N3O5 and a molecular weight of 349.47 g/mol. Its IUPAC name is 6-amino-2-(dimethylamino)-2-methylhexanoic acid;4-hydroxy-2-(propylamino)butanoic acid.

Molecular Properties

Compound Name6-amino-2-(dimethylamino)-2-methylhexanoic acid;4-hydroxy-2-(propylamino)butanoic acid
PubChem CID174820821
Molecular FormulaC16H35N3O5
Molecular Weight349.47 g/mol
Exact Mass349.26
IUPAC Name6-amino-2-(dimethylamino)-2-methylhexanoic acid;4-hydroxy-2-(propylamino)butanoic acid
SMILESCCCNC(CCO)C(=O)O.CN(C)C(C)(CCCCN)C(=O)O
InChIInChI=1S/C9H20N2O2.C7H15NO3/c1-9(8(12)13,11(2)3)6-4-5-7-10;1-2-4-8-6(3-5-9)7(10)11/h4-7,10H2,1-3H3,(H,12,13);6,8-9H,2-5H2,1H3,(H,10,11)
InChIKeyDXGHDKLURUQVCJ-UHFFFAOYSA-N
XLogP0.34
TPSA136.12 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 50.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

calcium;hydride;4-hydroxy-2-(propylamino)butanoic acid;radon
CID 174783521
azane;4-hydroxy-2-(propylamino)butanoic acid;hydrate;hydrochloride
CID 174910345
4-hydroxy-2-(propylamino)butanoic acid;pentane-1,1-diamine
CID 174939925
disodium;(2S)-4-hydroxy-2-(propylamino)butanoic acid;carbonate
CID 161259430
(2S)-4-hydroxy-2-(propylamino)butanoic acid;sulfuric acid
CID 172821173
2-(dimethylamino)-2-methyltetradecanoic acid
CID 11565995
2-aminoacetic acid;2-amino-3-hydroxypropanoic acid;4-hydroxy-2-(propylamino)butanoic acid
CID 174818632
(2S)-6-amino-2-(octylamino)hexanoic acid
CID 88516426
6-amino-2-(hexylamino)hexanoic acid
CID 87424914
6-amino-2-(pentylamino)hexanoic acid;azane
CID 174768521
2-amino-3-hydroxybutanoic acid;4-hydroxy-2-(propylamino)butanoic acid;zinc
CID 174949324
2-(propylamino)tetradecanoic acid
CID 54527307

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(dimethylamino)-2-methylhexanoic acid;4-hydroxy-2-(propylamino)butanoic acid?
The IUPAC name of 6-amino-2-(dimethylamino)-2-methylhexanoic acid;4-hydroxy-2-(propylamino)butanoic acid (CID 174820821) is 6-amino-2-(dimethylamino)-2-methylhexanoic acid;4-hydroxy-2-(propylamino)butanoic acid.
What is the SMILES notation for 6-amino-2-(dimethylamino)-2-methylhexanoic acid;4-hydroxy-2-(propylamino)butanoic acid?
The canonical SMILES for 6-amino-2-(dimethylamino)-2-methylhexanoic acid;4-hydroxy-2-(propylamino)butanoic acid is CCCNC(CCO)C(=O)O.CN(C)C(C)(CCCCN)C(=O)O.
What is the InChIKey of 6-amino-2-(dimethylamino)-2-methylhexanoic acid;4-hydroxy-2-(propylamino)butanoic acid?
The InChIKey is DXGHDKLURUQVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2.C7H15NO3/c1-9(8(12)13,11(2)3)6-4-5-7-10;1-2-4-8-6(3-5-9)7(10)11/h4-7,10H2,1-3H3,(H,12,13);6,8-9H,2-5H2,1H3,(H,10,11).
What are the key properties of 6-amino-2-(dimethylamino)-2-methylhexanoic acid;4-hydroxy-2-(propylamino)butanoic acid?
6-amino-2-(dimethylamino)-2-methylhexanoic acid;4-hydroxy-2-(propylamino)butanoic acid has a molecular weight of 349.47 g/mol, XLogP of 0.34, 12 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(dimethylamino)-2-methylhexanoic acid;4-hydroxy-2-(propylamino)butanoic acid is sourced from PubChem (CID 174820821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).