3-[2-hydroxypropyl(2-methylpropyl)amino]propanoic acid

C10H21NO3 — CID 82328936

IUPAC3-[2-hydroxypropyl(2-methylpropyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)CC(C)O
InChIInChI=1S/C10H21NO3/c1-8(2)6-11(7-9(3)12)5-4-10(13)14/h8-9,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyOAQHYYNBBQQYBB-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.80
Rot. Bonds7

About 3-[2-hydroxypropyl(2-methylpropyl)amino]propanoic acid

3-[2-hydroxypropyl(2-methylpropyl)amino]propanoic acid (PubChem CID 82328936) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-[2-hydroxypropyl(2-methylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-hydroxypropyl(2-methylpropyl)amino]propanoic acid
PubChem CID82328936
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name3-[2-hydroxypropyl(2-methylpropyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)CC(C)O
InChIInChI=1S/C10H21NO3/c1-8(2)6-11(7-9(3)12)5-4-10(13)14/h8-9,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyOAQHYYNBBQQYBB-UHFFFAOYSA-N
XLogP0.80
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]propanoic acid
CID 82330254
1-[3-[bis(2-methylpropyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19889997
3-[2-acetamidoethyl(2-methylpropyl)amino]propanoic acid
CID 82328942
1-[2-methylpropyl(propyl)amino]propan-2-ol
CID 145414853
3-[[2-[butyl(methyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]propanoic acid
CID 82327127
3-[3-ethoxypropyl(2-methylpropyl)amino]propanoic acid
CID 82328964
3-[2-[bis(2-carboxyethyl)amino]ethyl-(2-carboxyethyl)amino]propanoic acid;ethane
CID 145349461
3-[3-butoxypropyl(2-methylpropyl)amino]propanoic acid
CID 82328949
3-[2,2-dihydroxyethyl(methyl)amino]propanoic acid;hydrochloride
CID 175013118
2-[carboxymethyl(2-hydroxypropyl)amino]acetic acid;manganese;trihydrate
CID 58773320
3-[[2-(benzylamino)-2-oxoethyl]-(2-hydroxypropyl)amino]propanoic acid
CID 82326877
3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119911794

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxypropyl(2-methylpropyl)amino]propanoic acid?
The IUPAC name of 3-[2-hydroxypropyl(2-methylpropyl)amino]propanoic acid (CID 82328936) is 3-[2-hydroxypropyl(2-methylpropyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-hydroxypropyl(2-methylpropyl)amino]propanoic acid?
The canonical SMILES for 3-[2-hydroxypropyl(2-methylpropyl)amino]propanoic acid is CC(C)CN(CCC(=O)O)CC(C)O.
What is the InChIKey of 3-[2-hydroxypropyl(2-methylpropyl)amino]propanoic acid?
The InChIKey is OAQHYYNBBQQYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-8(2)6-11(7-9(3)12)5-4-10(13)14/h8-9,12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 3-[2-hydroxypropyl(2-methylpropyl)amino]propanoic acid?
3-[2-hydroxypropyl(2-methylpropyl)amino]propanoic acid has a molecular weight of 203.28 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxypropyl(2-methylpropyl)amino]propanoic acid is sourced from PubChem (CID 82328936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).