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

C9H17NO3 — CID 44784896

IUPAC3-[2,2-dimethylpropanoyl(methyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)C(C)(C)C
InChIInChI=1S/C9H17NO3/c1-9(2,3)8(13)10(4)6-5-7(11)12/h5-6H2,1-4H3,(H,11,12)
InChIKeyHMMWOOTVOYACPG-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.97
Rot. Bonds3

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

3-[2,2-dimethylpropanoyl(methyl)amino]propanoic acid (PubChem CID 44784896) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-[2,2-dimethylpropanoyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2,2-dimethylpropanoyl(methyl)amino]propanoic acid
PubChem CID44784896
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-[2,2-dimethylpropanoyl(methyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)C(C)(C)C
InChIInChI=1S/C9H17NO3/c1-9(2,3)8(13)10(4)6-5-7(11)12/h5-6H2,1-4H3,(H,11,12)
InChIKeyHMMWOOTVOYACPG-UHFFFAOYSA-N
XLogP0.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2,2-dimethylpropanoyl(methyl)amino]propanoic acid?
The IUPAC name of 3-[2,2-dimethylpropanoyl(methyl)amino]propanoic acid (CID 44784896) is 3-[2,2-dimethylpropanoyl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[2,2-dimethylpropanoyl(methyl)amino]propanoic acid?
The canonical SMILES for 3-[2,2-dimethylpropanoyl(methyl)amino]propanoic acid is CN(CCC(=O)O)C(=O)C(C)(C)C.
What is the InChIKey of 3-[2,2-dimethylpropanoyl(methyl)amino]propanoic acid?
The InChIKey is HMMWOOTVOYACPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(2,3)8(13)10(4)6-5-7(11)12/h5-6H2,1-4H3,(H,11,12).
What are the key properties of 3-[2,2-dimethylpropanoyl(methyl)amino]propanoic acid?
3-[2,2-dimethylpropanoyl(methyl)amino]propanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-dimethylpropanoyl(methyl)amino]propanoic acid is sourced from PubChem (CID 44784896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).