3-(3-methoxybutanoylamino)-2,2-dimethylpropanoic acid

C10H19NO4 — CID 115910002

IUPAC3-(3-methoxybutanoylamino)-2,2-dimethylpropanoic acid
SMILESCOC(C)CC(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-7(15-4)5-8(12)11-6-10(2,3)9(13)14/h7H,5-6H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyOVPBLJPAKWKIKD-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.64
Rot. Bonds6

About 3-(3-methoxybutanoylamino)-2,2-dimethylpropanoic acid

3-(3-methoxybutanoylamino)-2,2-dimethylpropanoic acid (PubChem CID 115910002) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 3-(3-methoxybutanoylamino)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(3-methoxybutanoylamino)-2,2-dimethylpropanoic acid
PubChem CID115910002
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name3-(3-methoxybutanoylamino)-2,2-dimethylpropanoic acid
SMILESCOC(C)CC(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-7(15-4)5-8(12)11-6-10(2,3)9(13)14/h7H,5-6H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyOVPBLJPAKWKIKD-UHFFFAOYSA-N
XLogP0.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-acetamidoacetyl)amino]-2,2-dimethylpropanoic acid
CID 115427067
2-(3-methoxybutanoylamino)-3,3-dimethylbutanoic acid
CID 115909811
3-[3-(4-methoxyphenyl)pentanoylamino]-2,2-dimethylpropanoic acid
CID 120687909
3-(but-3-enoylamino)-2,2-dimethylpropanoic acid
CID 115427141
3-(2-aminopropanoylamino)-2,2-dimethylpropanoic acid
CID 115427893
2,2-dimethyl-3-[[2-(3-methylbutylsulfanyl)acetyl]amino]propanoic acid
CID 119249698
(3S)-3-methoxybutanoic acid
CID 51374275
2-hydroxy-2-methyl-3-(3-methylbutanoylamino)propanoic acid
CID 66172744
2,2-dimethyl-3-(2,2,3-trimethylbutylcarbamoylamino)propanoic acid
CID 114101334
2,2-dimethyl-3-(pentanoylamino)propanoic acid
CID 81367765
3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 115427426
3-(2,4-dimethylpent-4-enoylamino)-2,2-dimethylpropanoic acid
CID 120687904

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxybutanoylamino)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(3-methoxybutanoylamino)-2,2-dimethylpropanoic acid (CID 115910002) is 3-(3-methoxybutanoylamino)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(3-methoxybutanoylamino)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(3-methoxybutanoylamino)-2,2-dimethylpropanoic acid is COC(C)CC(=O)NCC(C)(C)C(=O)O.
What is the InChIKey of 3-(3-methoxybutanoylamino)-2,2-dimethylpropanoic acid?
The InChIKey is OVPBLJPAKWKIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-7(15-4)5-8(12)11-6-10(2,3)9(13)14/h7H,5-6H2,1-4H3,(H,11,12)(H,13,14).
What are the key properties of 3-(3-methoxybutanoylamino)-2,2-dimethylpropanoic acid?
3-(3-methoxybutanoylamino)-2,2-dimethylpropanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxybutanoylamino)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 115910002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).