2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoic acid

C11H24N2O2 — CID 103189748

IUPAC2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoic acid
SMILESCCC(C(=O)O)N(CC)C(C)CN(C)C
InChIInChI=1S/C11H24N2O2/c1-6-10(11(14)15)13(7-2)9(3)8-12(4)5/h9-10H,6-8H2,1-5H3,(H,14,15)
InChIKeyWYJHRTMUDWUQKI-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.12
Rot. Bonds7

About 2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoic acid

2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoic acid (PubChem CID 103189748) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoic acid.

Molecular Properties

Compound Name2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoic acid
PubChem CID103189748
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoic acid
SMILESCCC(C(=O)O)N(CC)C(C)CN(C)C
InChIInChI=1S/C11H24N2O2/c1-6-10(11(14)15)13(7-2)9(3)8-12(4)5/h9-10H,6-8H2,1-5H3,(H,14,15)
InChIKeyWYJHRTMUDWUQKI-UHFFFAOYSA-N
XLogP1.12
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid
CID 103189711
ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoate
CID 103189712
6-amino-2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid
CID 112745824
2-[1-(dimethylamino)propan-2-yl-ethylamino]propanamide
CID 103190759
2-[methyl(propan-2-yl)amino]butanoic acid
CID 43808956
2-[2-carboxypropyl(3-oxobutan-2-yl)amino]butanoic acid
CID 82329397
2-[2-carboxyethyl(propan-2-yl)amino]butanoic acid
CID 82328618
2-[butan-2-yl(ethyl)amino]butanehydrazide
CID 63571401
N,N-dimethylethanamine;2-hydroxypropanoic acid
CID 174810971
2-[bis(3-methylbutyl)amino]butanoic acid
CID 107870312
(2R)-2-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]butanoic acid
CID 103190217
ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-phenylacetate
CID 106677155

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoic acid?
The IUPAC name of 2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoic acid (CID 103189748) is 2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoic acid.
What is the SMILES notation for 2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoic acid?
The canonical SMILES for 2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoic acid is CCC(C(=O)O)N(CC)C(C)CN(C)C.
What is the InChIKey of 2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoic acid?
The InChIKey is WYJHRTMUDWUQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-6-10(11(14)15)13(7-2)9(3)8-12(4)5/h9-10H,6-8H2,1-5H3,(H,14,15).
What are the key properties of 2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoic acid?
2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoic acid has a molecular weight of 216.32 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoic acid is sourced from PubChem (CID 103189748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).