4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]pentanoic acid

C10H20N2O3 — CID 62215247

IUPAC4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]pentanoic acid
SMILESCC(CCC(=O)O)N(C)CC(=O)N(C)C
InChIInChI=1S/C10H20N2O3/c1-8(5-6-10(14)15)12(4)7-9(13)11(2)3/h8H,5-7H2,1-4H3,(H,14,15)
InChIKeyXKOLQVBNVQHYJB-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.26
Rot. Bonds6

About 4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]pentanoic acid

4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]pentanoic acid (PubChem CID 62215247) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]pentanoic acid.

Molecular Properties

Compound Name4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]pentanoic acid
PubChem CID62215247
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]pentanoic acid
SMILESCC(CCC(=O)O)N(C)CC(=O)N(C)C
InChIInChI=1S/C10H20N2O3/c1-8(5-6-10(14)15)12(4)7-9(13)11(2)3/h8H,5-7H2,1-4H3,(H,14,15)
InChIKeyXKOLQVBNVQHYJB-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

4-[ethyl(methyl)amino]pentanoic acid
CID 62214342
4-[2-hydroxypropyl(methyl)amino]pentanoic acid
CID 62332604
(4R)-4-(dimethylamino)pentanoic acid
CID 92669584
4-(dimethylamino)pentanoic acid
CID 18442969
4-[cyclopropylmethyl(methyl)amino]pentanoic acid
CID 62213989
5-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 82687737
5-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-methylpentanoic acid
CID 82689316
4-[methyl(pentan-3-yl)amino]pentanoic acid
CID 62213096
4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid
CID 54916205
2-[(4-hydrazinyl-4-oxobutan-2-yl)-methylamino]-N,N-dimethylacetamide
CID 63573657
2-[4-methoxybutan-2-yl(methyl)amino]acetic acid
CID 65056386
3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoic acid
CID 61449220

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]pentanoic acid?
The IUPAC name of 4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]pentanoic acid (CID 62215247) is 4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]pentanoic acid.
What is the SMILES notation for 4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]pentanoic acid?
The canonical SMILES for 4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]pentanoic acid is CC(CCC(=O)O)N(C)CC(=O)N(C)C.
What is the InChIKey of 4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]pentanoic acid?
The InChIKey is XKOLQVBNVQHYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-8(5-6-10(14)15)12(4)7-9(13)11(2)3/h8H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]pentanoic acid?
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]pentanoic 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 4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]pentanoic acid is sourced from PubChem (CID 62215247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).