3-[(2-butan-2-yloxy-2-oxoethyl)-methylamino]propanoic acid

C10H19NO4 — CID 82223979

IUPAC3-[(2-butan-2-yloxy-2-oxoethyl)-methylamino]propanoic acid
SMILESCCC(C)OC(=O)CN(C)CCC(=O)O
InChIInChI=1S/C10H19NO4/c1-4-8(2)15-10(14)7-11(3)6-5-9(12)13/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyFBLIJXROTYGWCH-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.73
Rot. Bonds7

About 3-[(2-butan-2-yloxy-2-oxoethyl)-methylamino]propanoic acid

3-[(2-butan-2-yloxy-2-oxoethyl)-methylamino]propanoic acid (PubChem CID 82223979) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 3-[(2-butan-2-yloxy-2-oxoethyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-butan-2-yloxy-2-oxoethyl)-methylamino]propanoic acid
PubChem CID82223979
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name3-[(2-butan-2-yloxy-2-oxoethyl)-methylamino]propanoic acid
SMILESCCC(C)OC(=O)CN(C)CCC(=O)O
InChIInChI=1S/C10H19NO4/c1-4-8(2)15-10(14)7-11(3)6-5-9(12)13/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyFBLIJXROTYGWCH-UHFFFAOYSA-N
XLogP0.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

butan-2-yl 2-(dimethylamino)acetate
CID 134215874
1-O-[(2R)-butan-2-yl] 4-O-[(2S)-butan-2-yl] butanedioate
CID 92854984
3-[carboxymethyl(methyl)amino]propanoic acid
CID 54557646
dibutan-2-yl octanedioate
CID 593779
1-O-[(2R)-butan-2-yl] 9-O-[(2S)-butan-2-yl] nonanedioate
CID 92532862
3-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 60986775
3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]propanoic acid
CID 60988088
3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119911794
4-(1-butan-2-yloxyethoxy)-4-oxobutanoic acid
CID 21454696
3-[2-carboxyethyl(methyl)amino]propanoic acid;methane
CID 90204033
methyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate
CID 60658617
dibutan-2-yl 2-oxobutanedioate
CID 90921286

Frequently Asked Questions

What is the IUPAC name of 3-[(2-butan-2-yloxy-2-oxoethyl)-methylamino]propanoic acid?
The IUPAC name of 3-[(2-butan-2-yloxy-2-oxoethyl)-methylamino]propanoic acid (CID 82223979) is 3-[(2-butan-2-yloxy-2-oxoethyl)-methylamino]propanoic acid.
What is the SMILES notation for 3-[(2-butan-2-yloxy-2-oxoethyl)-methylamino]propanoic acid?
The canonical SMILES for 3-[(2-butan-2-yloxy-2-oxoethyl)-methylamino]propanoic acid is CCC(C)OC(=O)CN(C)CCC(=O)O.
What is the InChIKey of 3-[(2-butan-2-yloxy-2-oxoethyl)-methylamino]propanoic acid?
The InChIKey is FBLIJXROTYGWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-8(2)15-10(14)7-11(3)6-5-9(12)13/h8H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 3-[(2-butan-2-yloxy-2-oxoethyl)-methylamino]propanoic acid?
3-[(2-butan-2-yloxy-2-oxoethyl)-methylamino]propanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-butan-2-yloxy-2-oxoethyl)-methylamino]propanoic acid is sourced from PubChem (CID 82223979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).