(2R)-2-[2-(dipropylamino)-2-oxoethoxy]propanoic acid

C11H21NO4 — CID 104875289

IUPAC(2R)-2-[2-(dipropylamino)-2-oxoethoxy]propanoic acid
SMILESCCCN(CCC)C(=O)CO[C@H](C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-4-6-12(7-5-2)10(13)8-16-9(3)11(14)15/h9H,4-8H2,1-3H3,(H,14,15)/t9-/m1/s1
InChIKeyGGVWTHOWGVZOMC-SECBINFHSA-N
MW231.29 g/mol
LogP1.12
Rot. Bonds8

About (2R)-2-[2-(dipropylamino)-2-oxoethoxy]propanoic acid

(2R)-2-[2-(dipropylamino)-2-oxoethoxy]propanoic acid (PubChem CID 104875289) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is (2R)-2-[2-(dipropylamino)-2-oxoethoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-(dipropylamino)-2-oxoethoxy]propanoic acid
PubChem CID104875289
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name(2R)-2-[2-(dipropylamino)-2-oxoethoxy]propanoic acid
SMILESCCCN(CCC)C(=O)CO[C@H](C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-4-6-12(7-5-2)10(13)8-16-9(3)11(14)15/h9H,4-8H2,1-3H3,(H,14,15)/t9-/m1/s1
InChIKeyGGVWTHOWGVZOMC-SECBINFHSA-N
XLogP1.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[2-[di(propan-2-yl)amino]-2-oxoethoxy]propanoic acid
CID 104876420
2-ethoxypropanoic acid;methane
CID 160636954
ethane-1,2-diol;2-ethoxypropanoic acid
CID 87566881
2-(2-amino-2-oxoethoxy)propanoic acid
CID 88812452
(2S)-2-[(2S)-2-methylbutoxy]propanoic acid
CID 150908774
2-[2-(dipropylamino)-2-oxoethoxy]-N-methyl-N-propylacetamide
CID 153278734
2-methyl-3-[[2-(4-methylphenoxy)acetyl]-propylamino]propanoic acid
CID 82325608
3-[[2-(dipropylamino)-2-oxoethyl]-propylamino]-2-methylpropanoic acid
CID 82327114
(2S)-2-[2-(butylamino)-2-oxoethoxy]propanoic acid
CID 104876101
(2S)-2-(2-ethoxypropoxy)propanoic acid
CID 151300849
3-amino-N,N-dipropylbutanamide
CID 60836307
N-(3-phenylprop-2-ynyl)-2-propan-2-yloxy-N-propylacetamide
CID 46988385

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(dipropylamino)-2-oxoethoxy]propanoic acid?
The IUPAC name of (2R)-2-[2-(dipropylamino)-2-oxoethoxy]propanoic acid (CID 104875289) is (2R)-2-[2-(dipropylamino)-2-oxoethoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[2-(dipropylamino)-2-oxoethoxy]propanoic acid?
The canonical SMILES for (2R)-2-[2-(dipropylamino)-2-oxoethoxy]propanoic acid is CCCN(CCC)C(=O)CO[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[2-(dipropylamino)-2-oxoethoxy]propanoic acid?
The InChIKey is GGVWTHOWGVZOMC-SECBINFHSA-N. The full InChI is InChI=1S/C11H21NO4/c1-4-6-12(7-5-2)10(13)8-16-9(3)11(14)15/h9H,4-8H2,1-3H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-2-[2-(dipropylamino)-2-oxoethoxy]propanoic acid?
(2R)-2-[2-(dipropylamino)-2-oxoethoxy]propanoic acid has a molecular weight of 231.29 g/mol, XLogP of 1.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(dipropylamino)-2-oxoethoxy]propanoic acid is sourced from PubChem (CID 104875289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).