2-[[2-(dibutylamino)-2-oxoethyl]amino]propanoic acid

C13H26N2O3 — CID 43466823

IUPAC2-[[2-(dibutylamino)-2-oxoethyl]amino]propanoic acid
SMILESCCCCN(CCCC)C(=O)CNC(C)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-4-6-8-15(9-7-5-2)12(16)10-14-11(3)13(17)18/h11,14H,4-10H2,1-3H3,(H,17,18)
InChIKeyHPRWBFGQGABCJR-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.48
Rot. Bonds10

About 2-[[2-(dibutylamino)-2-oxoethyl]amino]propanoic acid

2-[[2-(dibutylamino)-2-oxoethyl]amino]propanoic acid (PubChem CID 43466823) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[[2-(dibutylamino)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(dibutylamino)-2-oxoethyl]amino]propanoic acid
PubChem CID43466823
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[[2-(dibutylamino)-2-oxoethyl]amino]propanoic acid
SMILESCCCCN(CCCC)C(=O)CNC(C)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-4-6-8-15(9-7-5-2)12(16)10-14-11(3)13(17)18/h11,14H,4-10H2,1-3H3,(H,17,18)
InChIKeyHPRWBFGQGABCJR-UHFFFAOYSA-N
XLogP1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(dibutylamino)-2-oxoethyl]amino]propanoic acid
CID 83194352
2-(butan-2-ylamino)-N,N-dihexylacetamide
CID 63497077
2-(pentylamino)propanoic acid
CID 43467235
2-anilino-N-butyl-N-(2-hydroxyethyl)acetamide
CID 54870892
2-[bis(2-hydroxyethyl)amino]ethanol;(2S)-2-(2-oxotridecylamino)propanoic acid
CID 158271638
N,N-diethyl-2-(heptan-2-ylamino)acetamide
CID 60688008
2-(hexadecylamino)propanoic acid
CID 15919803
N',N'-dibutyl-N-methylpropanediamide
CID 58195820
(2S)-2-(octadecylamino)propanoic acid
CID 54367434
2-(carboxymethylamino)propanoic acid
CID 2764308
CID 162321120
CID 162321120
3-[butyl(propanoyl)amino]-2-methylpropanoic acid
CID 82323303

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dibutylamino)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(dibutylamino)-2-oxoethyl]amino]propanoic acid (CID 43466823) is 2-[[2-(dibutylamino)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(dibutylamino)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(dibutylamino)-2-oxoethyl]amino]propanoic acid is CCCCN(CCCC)C(=O)CNC(C)C(=O)O.
What is the InChIKey of 2-[[2-(dibutylamino)-2-oxoethyl]amino]propanoic acid?
The InChIKey is HPRWBFGQGABCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-4-6-8-15(9-7-5-2)12(16)10-14-11(3)13(17)18/h11,14H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 2-[[2-(dibutylamino)-2-oxoethyl]amino]propanoic acid?
2-[[2-(dibutylamino)-2-oxoethyl]amino]propanoic acid has a molecular weight of 258.36 g/mol, XLogP of 1.48, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dibutylamino)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 43466823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).