3-[butan-2-yl(ethyl)amino]-2-ethoxypropanoic acid

C11H23NO3 — CID 63068258

IUPAC3-[butan-2-yl(ethyl)amino]-2-ethoxypropanoic acid
SMILESCCOC(CN(CC)C(C)CC)C(=O)O
InChIInChI=1S/C11H23NO3/c1-5-9(4)12(6-2)8-10(11(13)14)15-7-3/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyYHQOKDBBBSDZRK-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.60
Rot. Bonds8

About 3-[butan-2-yl(ethyl)amino]-2-ethoxypropanoic acid

3-[butan-2-yl(ethyl)amino]-2-ethoxypropanoic acid (PubChem CID 63068258) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-[butan-2-yl(ethyl)amino]-2-ethoxypropanoic acid.

Molecular Properties

Compound Name3-[butan-2-yl(ethyl)amino]-2-ethoxypropanoic acid
PubChem CID63068258
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name3-[butan-2-yl(ethyl)amino]-2-ethoxypropanoic acid
SMILESCCOC(CN(CC)C(C)CC)C(=O)O
InChIInChI=1S/C11H23NO3/c1-5-9(4)12(6-2)8-10(11(13)14)15-7-3/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyYHQOKDBBBSDZRK-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-3-[ethyl(propan-2-yl)amino]propanoic acid
CID 63066872
2-ethoxy-3-[ethyl(2-methylpropyl)amino]propanoic acid
CID 63068079
4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethoxybutanoic acid
CID 103191984
(4R)-2-ethoxy-4-methylhexanoic acid
CID 142224466
acetic acid;N,N-diethylbutan-2-amine;hydroiodide
CID 87971936
3-butan-2-yloxy-2-ethoxypropanoic acid
CID 63074689
3-[cyclopropylmethyl(ethyl)amino]-2-ethoxypropanoic acid
CID 63939336
3-[cyclopentyl(ethyl)amino]-2-ethoxypropanoic acid
CID 63067576
4-(diethylamino)-2-ethoxybutanoic acid
CID 63068058
4-[bis(2-methylpropyl)amino]-2-ethoxybutanoic acid
CID 63068638
(2R)-2-ethoxybutanedioic acid
CID 101245963
3-[cyclopentyl(methyl)amino]-2-ethoxypropanoic acid
CID 63067910

Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(ethyl)amino]-2-ethoxypropanoic acid?
The IUPAC name of 3-[butan-2-yl(ethyl)amino]-2-ethoxypropanoic acid (CID 63068258) is 3-[butan-2-yl(ethyl)amino]-2-ethoxypropanoic acid.
What is the SMILES notation for 3-[butan-2-yl(ethyl)amino]-2-ethoxypropanoic acid?
The canonical SMILES for 3-[butan-2-yl(ethyl)amino]-2-ethoxypropanoic acid is CCOC(CN(CC)C(C)CC)C(=O)O.
What is the InChIKey of 3-[butan-2-yl(ethyl)amino]-2-ethoxypropanoic acid?
The InChIKey is YHQOKDBBBSDZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-5-9(4)12(6-2)8-10(11(13)14)15-7-3/h9-10H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 3-[butan-2-yl(ethyl)amino]-2-ethoxypropanoic acid?
3-[butan-2-yl(ethyl)amino]-2-ethoxypropanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(ethyl)amino]-2-ethoxypropanoic acid is sourced from PubChem (CID 63068258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).