3-[2,2-dimethylpropanoyl(2-methylpropyl)amino]-2-methylpropanoic acid

C13H25NO3 — CID 82323783

IUPAC3-[2,2-dimethylpropanoyl(2-methylpropyl)amino]-2-methylpropanoic acid
SMILESCC(C)CN(CC(C)C(=O)O)C(=O)C(C)(C)C
InChIInChI=1S/C13H25NO3/c1-9(2)7-14(8-10(3)11(15)16)12(17)13(4,5)6/h9-10H,7-8H2,1-6H3,(H,15,16)
InChIKeyQQMOGUPFLMSZQV-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.24
Rot. Bonds5

About 3-[2,2-dimethylpropanoyl(2-methylpropyl)amino]-2-methylpropanoic acid

3-[2,2-dimethylpropanoyl(2-methylpropyl)amino]-2-methylpropanoic acid (PubChem CID 82323783) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[2,2-dimethylpropanoyl(2-methylpropyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2,2-dimethylpropanoyl(2-methylpropyl)amino]-2-methylpropanoic acid
PubChem CID82323783
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name3-[2,2-dimethylpropanoyl(2-methylpropyl)amino]-2-methylpropanoic acid
SMILESCC(C)CN(CC(C)C(=O)O)C(=O)C(C)(C)C
InChIInChI=1S/C13H25NO3/c1-9(2)7-14(8-10(3)11(15)16)12(17)13(4,5)6/h9-10H,7-8H2,1-6H3,(H,15,16)
InChIKeyQQMOGUPFLMSZQV-UHFFFAOYSA-N
XLogP2.24
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[Bis(2-methylpropyl)amino]propanoic acid
CID 2057165
3-(N-methylacetamido)propanoic acid
CID 541580
1-Acetylazetidine-3-carboxylic acid
CID 13374357
3-(Diethylamino)-2-methylpropanoic acid
CID 43538708
3-(Butylacetylamino)propionic acid
CID 189750
2,2-Dimethyl-3-[methyl(oxomethyl)amino]propanoic acid;2-methylbutane;yttrium
CID 154708184
2-methyl-3-(2,2,2-trifluoro-N-methylacetamido)propanoic acid
CID 61599183
2-Methyl-3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoic acid
CID 61600134
3-[Ethyl(3,3,3-trifluoropropanoyl)amino]-2-methylpropanoic acid
CID 62826468
3-(N-ethyl-2,2,2-trifluoroacetamido)-2-methylpropanoic acid
CID 62827747
3-[Ethyl(4,4,4-trifluorobutanoyl)amino]-2-methylpropanoic acid
CID 65712509
3-[2,2,2-trifluoro-N-(2-methylpropyl)acetamido]propanoic acid
CID 82325826

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-dimethylpropanoyl(2-methylpropyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[2,2-dimethylpropanoyl(2-methylpropyl)amino]-2-methylpropanoic acid (CID 82323783) is 3-[2,2-dimethylpropanoyl(2-methylpropyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2,2-dimethylpropanoyl(2-methylpropyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[2,2-dimethylpropanoyl(2-methylpropyl)amino]-2-methylpropanoic acid is CC(C)CN(CC(C)C(=O)O)C(=O)C(C)(C)C.
What is the InChIKey of 3-[2,2-dimethylpropanoyl(2-methylpropyl)amino]-2-methylpropanoic acid?
The InChIKey is QQMOGUPFLMSZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-9(2)7-14(8-10(3)11(15)16)12(17)13(4,5)6/h9-10H,7-8H2,1-6H3,(H,15,16).
What are the key properties of 3-[2,2-dimethylpropanoyl(2-methylpropyl)amino]-2-methylpropanoic acid?
3-[2,2-dimethylpropanoyl(2-methylpropyl)amino]-2-methylpropanoic acid has a molecular weight of 243.35 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-dimethylpropanoyl(2-methylpropyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82323783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).