3-[3-hydroxypropyl(3-methylbutanoyl)amino]propanoic acid

C11H21NO4 — CID 82324051

IUPAC3-[3-hydroxypropyl(3-methylbutanoyl)amino]propanoic acid
SMILESCC(C)CC(=O)N(CCCO)CCC(=O)O
InChIInChI=1S/C11H21NO4/c1-9(2)8-10(14)12(5-3-7-13)6-4-11(15)16/h9,13H,3-8H2,1-2H3,(H,15,16)
InChIKeyHJWJJPIQLQHTRC-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.72
Rot. Bonds8

About 3-[3-hydroxypropyl(3-methylbutanoyl)amino]propanoic acid

3-[3-hydroxypropyl(3-methylbutanoyl)amino]propanoic acid (PubChem CID 82324051) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-[3-hydroxypropyl(3-methylbutanoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[3-hydroxypropyl(3-methylbutanoyl)amino]propanoic acid
PubChem CID82324051
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name3-[3-hydroxypropyl(3-methylbutanoyl)amino]propanoic acid
SMILESCC(C)CC(=O)N(CCCO)CCC(=O)O
InChIInChI=1S/C11H21NO4/c1-9(2)8-10(14)12(5-3-7-13)6-4-11(15)16/h9,13H,3-8H2,1-2H3,(H,15,16)
InChIKeyHJWJJPIQLQHTRC-UHFFFAOYSA-N
XLogP0.72
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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-methylbutanoyl(3-methylbutyl)amino]propanoic acid
CID 82324105
3-[3-hydroxypropyl(propanoyl)amino]propanoic acid
CID 82323236
3-[2,2-dimethylpropanoyl(3-hydroxypropyl)amino]propanoic acid
CID 82323720
3-[3-hydroxypropyl-[3-(4-methylphenyl)propanoyl]amino]propanoic acid
CID 82325805
3-[3-hydroxypropyl-(2,2,2-trichloroacetyl)amino]propanoic acid
CID 82325919
3-[(2-cyclohexylacetyl)-(3-hydroxypropyl)amino]propanoic acid
CID 82326091
N-butyl-N-(2-chloroethyl)-3-methylbutanamide
CID 63390877
3-[2-methylpropyl(pentanoyl)amino]propanoic acid
CID 82323488
3-[decanoyl(2-hydroxyethyl)amino]propanoic acid
CID 132595707
2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid
CID 62033717
4-[bis(2-hydroxyethyl)amino]-2-methyl-4-oxobutanoic acid
CID 158712183
N-ethyl-N-(3-hydroxypropyl)-3,4,4-trimethylpentanamide
CID 115771733

Frequently Asked Questions

What is the IUPAC name of 3-[3-hydroxypropyl(3-methylbutanoyl)amino]propanoic acid?
The IUPAC name of 3-[3-hydroxypropyl(3-methylbutanoyl)amino]propanoic acid (CID 82324051) is 3-[3-hydroxypropyl(3-methylbutanoyl)amino]propanoic acid.
What is the SMILES notation for 3-[3-hydroxypropyl(3-methylbutanoyl)amino]propanoic acid?
The canonical SMILES for 3-[3-hydroxypropyl(3-methylbutanoyl)amino]propanoic acid is CC(C)CC(=O)N(CCCO)CCC(=O)O.
What is the InChIKey of 3-[3-hydroxypropyl(3-methylbutanoyl)amino]propanoic acid?
The InChIKey is HJWJJPIQLQHTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-9(2)8-10(14)12(5-3-7-13)6-4-11(15)16/h9,13H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 3-[3-hydroxypropyl(3-methylbutanoyl)amino]propanoic acid?
3-[3-hydroxypropyl(3-methylbutanoyl)amino]propanoic acid has a molecular weight of 231.29 g/mol, XLogP of 0.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-hydroxypropyl(3-methylbutanoyl)amino]propanoic acid is sourced from PubChem (CID 82324051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).