2-(dihexylamino)-3-hydroxypropanoic acid

C15H31NO3 — CID 175360727

IUPAC2-(dihexylamino)-3-hydroxypropanoic acid
SMILESCCCCCCN(CCCCCC)C(CO)C(=O)O
InChIInChI=1S/C15H31NO3/c1-3-5-7-9-11-16(12-10-8-6-4-2)14(13-17)15(18)19/h14,17H,3-13H2,1-2H3,(H,18,19)
InChIKeyIZDHYNIDDBSJHC-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.89
Rot. Bonds13

About 2-(dihexylamino)-3-hydroxypropanoic acid

2-(dihexylamino)-3-hydroxypropanoic acid (PubChem CID 175360727) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-(dihexylamino)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-(dihexylamino)-3-hydroxypropanoic acid
PubChem CID175360727
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name2-(dihexylamino)-3-hydroxypropanoic acid
SMILESCCCCCCN(CCCCCC)C(CO)C(=O)O
InChIInChI=1S/C15H31NO3/c1-3-5-7-9-11-16(12-10-8-6-4-2)14(13-17)15(18)19/h14,17H,3-13H2,1-2H3,(H,18,19)
InChIKeyIZDHYNIDDBSJHC-UHFFFAOYSA-N
XLogP2.89
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[dodecyl(propyl)amino]-4-hydroxybutanoic acid
CID 158745889
2-(didecylamino)pentanoic acid
CID 101314079
2-[di(tridecyl)amino]pentanoic acid
CID 101314139
[(1-carboxy-2-hydroxyethyl)-tetradecylamino]-oxophosphanium
CID 173034570
2-[2-carboxyethyl(hexyl)amino]pentanoic acid
CID 82328380
(2S)-5-amino-2-[butyl(dodecyl)amino]-5-oxopentanoic acid
CID 150171158
CID 175857713
CID 175857713
(2S)-2-(didecylamino)propanoic acid
CID 54553800
2-[di(undecyl)amino]propanoic acid
CID 101313686
2-(dipentylamino)-5-oxopentanoic acid
CID 19977200
(2S)-6-amino-2-(dipentylamino)hexanoic acid
CID 57295047
(2S)-2-[(hexadecanoylamino)-tetradecylamino]-3-hydroxypropanoic acid
CID 87135234

Frequently Asked Questions

What is the IUPAC name of 2-(dihexylamino)-3-hydroxypropanoic acid?
The IUPAC name of 2-(dihexylamino)-3-hydroxypropanoic acid (CID 175360727) is 2-(dihexylamino)-3-hydroxypropanoic acid.
What is the SMILES notation for 2-(dihexylamino)-3-hydroxypropanoic acid?
The canonical SMILES for 2-(dihexylamino)-3-hydroxypropanoic acid is CCCCCCN(CCCCCC)C(CO)C(=O)O.
What is the InChIKey of 2-(dihexylamino)-3-hydroxypropanoic acid?
The InChIKey is IZDHYNIDDBSJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-3-5-7-9-11-16(12-10-8-6-4-2)14(13-17)15(18)19/h14,17H,3-13H2,1-2H3,(H,18,19).
What are the key properties of 2-(dihexylamino)-3-hydroxypropanoic acid?
2-(dihexylamino)-3-hydroxypropanoic acid has a molecular weight of 273.42 g/mol, XLogP of 2.89, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dihexylamino)-3-hydroxypropanoic acid is sourced from PubChem (CID 175360727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).