3-[2,2-dimethylpropanoyl(3-hydroxypropyl)amino]propanoic acid

C11H21NO4 — CID 82323720

IUPAC3-[2,2-dimethylpropanoyl(3-hydroxypropyl)amino]propanoic acid
SMILESCC(C)(C)C(=O)N(CCCO)CCC(=O)O
InChIInChI=1S/C11H21NO4/c1-11(2,3)10(16)12(6-4-8-13)7-5-9(14)15/h13H,4-8H2,1-3H3,(H,14,15)
InChIKeyDMSYCGIURZXRGI-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.72
Rot. Bonds6

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

3-[2,2-dimethylpropanoyl(3-hydroxypropyl)amino]propanoic acid (PubChem CID 82323720) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-[2,2-dimethylpropanoyl(3-hydroxypropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2,2-dimethylpropanoyl(3-hydroxypropyl)amino]propanoic acid
PubChem CID82323720
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name3-[2,2-dimethylpropanoyl(3-hydroxypropyl)amino]propanoic acid
SMILESCC(C)(C)C(=O)N(CCCO)CCC(=O)O
InChIInChI=1S/C11H21NO4/c1-11(2,3)10(16)12(6-4-8-13)7-5-9(14)15/h13H,4-8H2,1-3H3,(H,14,15)
InChIKeyDMSYCGIURZXRGI-UHFFFAOYSA-N
XLogP0.72
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(dimethylamino)propyl-(2,2-dimethylpropanoyl)amino]propanoic acid
CID 82323749
3-[3-hydroxypropyl-(2,2,2-trichloroacetyl)amino]propanoic acid
CID 82325919
3-[3-hydroxypropyl(propanoyl)amino]propanoic acid
CID 82323236
N-(2-hydroxyethyl)-2,2-dimethyl-N-pentylpropanamide
CID 59440869
3-[3-hydroxypropyl(3-methylbutanoyl)amino]propanoic acid
CID 82324051
3-[2,2-dimethylpropanoyl(3-imidazol-1-ylpropyl)amino]propanoic acid
CID 82323769
3-[amino(3-hydroxypropyl)amino]propanoic acid
CID 123185238
3-[2-hydroxyethyl-(2,2,2-trichloroacetyl)amino]propanoic acid
CID 82325918
2,2-dimethyl-N,N-di(nonyl)propanamide
CID 532840
2,2-dimethyl-N,N-dipropylpropanamide;methane
CID 157106915
N,N-bis(2-chloroethyl)-2,2-dimethylpropanamide
CID 79019595
2-bromo-N-ethyl-N-(3-hydroxypropyl)-2-methylpropanamide
CID 114329142

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-dimethylpropanoyl(3-hydroxypropyl)amino]propanoic acid?
The IUPAC name of 3-[2,2-dimethylpropanoyl(3-hydroxypropyl)amino]propanoic acid (CID 82323720) is 3-[2,2-dimethylpropanoyl(3-hydroxypropyl)amino]propanoic acid.
What is the SMILES notation for 3-[2,2-dimethylpropanoyl(3-hydroxypropyl)amino]propanoic acid?
The canonical SMILES for 3-[2,2-dimethylpropanoyl(3-hydroxypropyl)amino]propanoic acid is CC(C)(C)C(=O)N(CCCO)CCC(=O)O.
What is the InChIKey of 3-[2,2-dimethylpropanoyl(3-hydroxypropyl)amino]propanoic acid?
The InChIKey is DMSYCGIURZXRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-11(2,3)10(16)12(6-4-8-13)7-5-9(14)15/h13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 3-[2,2-dimethylpropanoyl(3-hydroxypropyl)amino]propanoic acid?
3-[2,2-dimethylpropanoyl(3-hydroxypropyl)amino]propanoic acid has a molecular weight of 231.29 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-dimethylpropanoyl(3-hydroxypropyl)amino]propanoic acid is sourced from PubChem (CID 82323720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).