2-[2-(dimethylamino)ethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid

C13H27N3O3 — CID 107425454

IUPAC2-[2-(dimethylamino)ethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid
SMILESCC(C)C(C)NC(=O)CN(CCN(C)C)CC(=O)O
InChIInChI=1S/C13H27N3O3/c1-10(2)11(3)14-12(17)8-16(9-13(18)19)7-6-15(4)5/h10-11H,6-9H2,1-5H3,(H,14,17)(H,18,19)
InChIKeyXXVQGWDJZIBGJN-UHFFFAOYSA-N
MW273.38 g/mol
LogP0.10
Rot. Bonds9

About 2-[2-(dimethylamino)ethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid

2-[2-(dimethylamino)ethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid (PubChem CID 107425454) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid
PubChem CID107425454
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC Name2-[2-(dimethylamino)ethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid
SMILESCC(C)C(C)NC(=O)CN(CCN(C)C)CC(=O)O
InChIInChI=1S/C13H27N3O3/c1-10(2)11(3)14-12(17)8-16(9-13(18)19)7-6-15(4)5/h10-11H,6-9H2,1-5H3,(H,14,17)(H,18,19)
InChIKeyXXVQGWDJZIBGJN-UHFFFAOYSA-N
XLogP0.10
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)ethyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid
CID 107426068
2-[methyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid
CID 43442431
2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79276238
2-[cyclopropylmethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid
CID 43656855
2-[butyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetamide
CID 51081968
3-[ethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 55122915
2-[ethyl(2-hydroxyethyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 60685750
2-[2-hydroxyethyl(propyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 60691833
2-[[2-(butan-2-ylamino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid
CID 63644616
2-[2-(dimethylamino)ethyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetic acid
CID 107425853
2-[2-aminoethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425136
2-[2-(dimethylamino)ethyl-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 107425846

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid (CID 107425454) is 2-[2-(dimethylamino)ethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid is CC(C)C(C)NC(=O)CN(CCN(C)C)CC(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid?
The InChIKey is XXVQGWDJZIBGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-10(2)11(3)14-12(17)8-16(9-13(18)19)7-6-15(4)5/h10-11H,6-9H2,1-5H3,(H,14,17)(H,18,19).
What are the key properties of 2-[2-(dimethylamino)ethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid?
2-[2-(dimethylamino)ethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid has a molecular weight of 273.38 g/mol, XLogP of 0.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 107425454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).