3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoic acid

C10H20N2O3 — CID 61449220

IUPAC3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoic acid
SMILESCCN(CC(=O)N(C)C)C(C)CC(=O)O
InChIInChI=1S/C10H20N2O3/c1-5-12(7-9(13)11(3)4)8(2)6-10(14)15/h8H,5-7H2,1-4H3,(H,14,15)
InChIKeyHFJLIFXVKZSNQV-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.26
Rot. Bonds6

About 3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoic acid

3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoic acid (PubChem CID 61449220) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoic acid.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoic acid
PubChem CID61449220
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoic acid
SMILESCCN(CC(=O)N(C)C)C(C)CC(=O)O
InChIInChI=1S/C10H20N2O3/c1-5-12(7-9(13)11(3)4)8(2)6-10(14)15/h8H,5-7H2,1-4H3,(H,14,15)
InChIKeyHFJLIFXVKZSNQV-UHFFFAOYSA-N
XLogP0.26
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[(2R)-1-ethylsulfonylpropan-2-yl]amino]-N,N-dimethylacetamide
CID 96538913
3-[2-chloroprop-2-enyl(ethyl)amino]butanoic acid
CID 62826565
3-[2,3-dichloroprop-2-enyl(ethyl)amino]butanoic acid
CID 79173679
3-[ethyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]butanoic acid
CID 62825847
3-[[2-(butylamino)-2-oxoethyl]-ethylamino]butanoic acid
CID 62826022
2-[ethyl-(1-oxo-1-phenylpropan-2-yl)amino]-N,N-dimethylacetamide
CID 60864172
3-[ethyl-(2-ethyl-2-hydroxybutyl)amino]butanoic acid
CID 114494908
3-[cyclopentylmethyl(ethyl)amino]butanoic acid
CID 62825666
2-[ethyl(propan-2-yl)amino]-N-methyl-N-propan-2-ylacetamide
CID 176579290
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60839636
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]pentanoic acid
CID 62215247
3-[ethyl-[3-(ethylamino)-3-oxopropyl]amino]butanoic acid
CID 62827272

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoic acid?
The IUPAC name of 3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoic acid (CID 61449220) is 3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoic acid.
What is the SMILES notation for 3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoic acid?
The canonical SMILES for 3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoic acid is CCN(CC(=O)N(C)C)C(C)CC(=O)O.
What is the InChIKey of 3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoic acid?
The InChIKey is HFJLIFXVKZSNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-5-12(7-9(13)11(3)4)8(2)6-10(14)15/h8H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoic acid?
3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoic acid is sourced from PubChem (CID 61449220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).