3-[(2-butan-2-yloxyacetyl)amino]propanoic acid

C9H17NO4 — CID 120515273

IUPAC3-[(2-butan-2-yloxyacetyl)amino]propanoic acid
SMILESCCC(C)OCC(=O)NCCC(=O)O
InChIInChI=1S/C9H17NO4/c1-3-7(2)14-6-8(11)10-5-4-9(12)13/h7H,3-6H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyPQYZTDFSRUQJSO-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.39
Rot. Bonds7

About 3-[(2-butan-2-yloxyacetyl)amino]propanoic acid

3-[(2-butan-2-yloxyacetyl)amino]propanoic acid (PubChem CID 120515273) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-[(2-butan-2-yloxyacetyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2-butan-2-yloxyacetyl)amino]propanoic acid
PubChem CID120515273
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name3-[(2-butan-2-yloxyacetyl)amino]propanoic acid
SMILESCCC(C)OCC(=O)NCCC(=O)O
InChIInChI=1S/C9H17NO4/c1-3-7(2)14-6-8(11)10-5-4-9(12)13/h7H,3-6H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyPQYZTDFSRUQJSO-UHFFFAOYSA-N
XLogP0.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-butan-2-yl]oxyacetic acid
CID 92979817
N-[8-[(2-butan-2-yloxyacetyl)amino]octyl]-2-[ethyl(methyl)amino]acetamide
CID 156819572
3-(2-butan-2-yloxyethoxy)propanoic acid
CID 59266758
3-[[2-[1,3-bis[2-(2-aminoethoxy)ethoxy]propoxy]acetyl]amino]propanoic acid
CID 91357782
N-(2-aminoethyl)-2-(1-ethoxypropan-2-yloxy)acetamide
CID 103487058
3-[2-[methyl((113C)methyl)amino](3,4-13C2)butanoylamino]propanoic acid
CID 135251446
(2S)-2-[2-(butylamino)-2-oxoethoxy]propanoic acid
CID 104876101
3-[3-(aminomethyl)pentanoylamino]propanoic acid
CID 81086548
4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 54900854
bis(3-(2-methylpropanoylamino)propanoic acid);tetrahydrate
CID 174949925
2-(2-butan-2-yloxyethoxy)acetic acid
CID 58779511
4-[2-[2-[2-[(2R)-butan-2-yl]oxyethoxy]ethoxy]ethoxy]-4-oxobutanoic acid
CID 118136972

Frequently Asked Questions

What is the IUPAC name of 3-[(2-butan-2-yloxyacetyl)amino]propanoic acid?
The IUPAC name of 3-[(2-butan-2-yloxyacetyl)amino]propanoic acid (CID 120515273) is 3-[(2-butan-2-yloxyacetyl)amino]propanoic acid.
What is the SMILES notation for 3-[(2-butan-2-yloxyacetyl)amino]propanoic acid?
The canonical SMILES for 3-[(2-butan-2-yloxyacetyl)amino]propanoic acid is CCC(C)OCC(=O)NCCC(=O)O.
What is the InChIKey of 3-[(2-butan-2-yloxyacetyl)amino]propanoic acid?
The InChIKey is PQYZTDFSRUQJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-3-7(2)14-6-8(11)10-5-4-9(12)13/h7H,3-6H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 3-[(2-butan-2-yloxyacetyl)amino]propanoic acid?
3-[(2-butan-2-yloxyacetyl)amino]propanoic acid has a molecular weight of 203.24 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-butan-2-yloxyacetyl)amino]propanoic acid is sourced from PubChem (CID 120515273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).