4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethoxybutanoic acid

C13H28N2O3 — CID 103191984

IUPAC4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethoxybutanoic acid
SMILESCCOC(CCN(CC)C(C)CN(C)C)C(=O)O
InChIInChI=1S/C13H28N2O3/c1-6-15(11(3)10-14(4)5)9-8-12(13(16)17)18-7-2/h11-12H,6-10H2,1-5H3,(H,16,17)
InChIKeyYZACPVLXLBISJK-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.14
Rot. Bonds10

About 4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethoxybutanoic acid

4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethoxybutanoic acid (PubChem CID 103191984) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethoxybutanoic acid.

Molecular Properties

Compound Name4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethoxybutanoic acid
PubChem CID103191984
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethoxybutanoic acid
SMILESCCOC(CCN(CC)C(C)CN(C)C)C(=O)O
InChIInChI=1S/C13H28N2O3/c1-6-15(11(3)10-14(4)5)9-8-12(13(16)17)18-7-2/h11-12H,6-10H2,1-5H3,(H,16,17)
InChIKeyYZACPVLXLBISJK-UHFFFAOYSA-N
XLogP1.14
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Ethoxy-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 63067288
2-Ethoxy-4-[methyl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 63067775
2-Ethoxy-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 63068300
2-Ethoxy-4-[propyl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 63068322
4-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethoxybutanoic acid
CID 63069166
2-Ethoxy-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid
CID 63075464
2-Ethoxy-4-[methyl(3,3,3-trifluoropropyl)amino]butanoic acid
CID 65545997
4-[2,2-Difluoroethyl(methyl)amino]-2-ethoxybutanoic acid
CID 116318438
(3-Carboxy-3-methoxypropyl)-trimethylazanium chloride
CID 11789088
ethyl (2S)-4-(dimethylamino)-2-hydroxybutanoate
CID 57438627
Ethyl 4-(dimethylamino)-2-hydroxybutanoate
CID 76539455
2-Acetyloxy-4-(dimethylamino)butanoic acid
CID 130193619

Frequently Asked Questions

What is the IUPAC name of 4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethoxybutanoic acid?
The IUPAC name of 4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethoxybutanoic acid (CID 103191984) is 4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethoxybutanoic acid.
What is the SMILES notation for 4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethoxybutanoic acid?
The canonical SMILES for 4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethoxybutanoic acid is CCOC(CCN(CC)C(C)CN(C)C)C(=O)O.
What is the InChIKey of 4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethoxybutanoic acid?
The InChIKey is YZACPVLXLBISJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-6-15(11(3)10-14(4)5)9-8-12(13(16)17)18-7-2/h11-12H,6-10H2,1-5H3,(H,16,17).
What are the key properties of 4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethoxybutanoic acid?
4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethoxybutanoic acid has a molecular weight of 260.38 g/mol, XLogP of 1.14, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethoxybutanoic acid is sourced from PubChem (CID 103191984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).