2-[2-(dimethylamino)ethyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid

C13H27N3O3 — CID 107426068

IUPAC2-[2-(dimethylamino)ethyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid
SMILESCCC(CC)NC(=O)CN(CCN(C)C)CC(=O)O
InChIInChI=1S/C13H27N3O3/c1-5-11(6-2)14-12(17)9-16(10-13(18)19)8-7-15(3)4/h11H,5-10H2,1-4H3,(H,14,17)(H,18,19)
InChIKeyYDINQLAXSXKCEW-UHFFFAOYSA-N
MW273.38 g/mol
LogP0.24
Rot. Bonds10

About 2-[2-(dimethylamino)ethyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid

2-[2-(dimethylamino)ethyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid (PubChem CID 107426068) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid
PubChem CID107426068
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC Name2-[2-(dimethylamino)ethyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid
SMILESCCC(CC)NC(=O)CN(CCN(C)C)CC(=O)O
InChIInChI=1S/C13H27N3O3/c1-5-11(6-2)14-12(17)9-16(10-13(18)19)8-7-15(3)4/h11H,5-10H2,1-4H3,(H,14,17)(H,18,19)
InChIKeyYDINQLAXSXKCEW-UHFFFAOYSA-N
XLogP0.24
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)ethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid
CID 107425454
2-[2-(dimethylamino)ethyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid
CID 107426058
2-[butan-2-yl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid
CID 54957365
methyl 2-[[2-oxo-2-(pentan-3-ylamino)ethyl]-propylamino]acetate
CID 61035559
2-[[2-(butan-2-ylamino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid
CID 63644616
2-[2-aminoethyl(methyl)amino]-N-pentan-3-ylacetamide
CID 61486750
2-[2-(dimethylamino)ethyl-(2-ethylsulfonylethyl)amino]acetic acid
CID 107425114
2-[2-(dimethylamino)ethyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetic acid
CID 107425853
3-[ethyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]butanoic acid
CID 62825847
2-[3-aminopropyl(propyl)amino]-N-pentan-3-ylacetamide
CID 54957057
2-[2-aminoethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425136
2-[(3-amino-3-sulfanylidenepropyl)-ethylamino]-N-pentan-3-ylacetamide
CID 54992977

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid (CID 107426068) is 2-[2-(dimethylamino)ethyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid is CCC(CC)NC(=O)CN(CCN(C)C)CC(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid?
The InChIKey is YDINQLAXSXKCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-5-11(6-2)14-12(17)9-16(10-13(18)19)8-7-15(3)4/h11H,5-10H2,1-4H3,(H,14,17)(H,18,19).
What are the key properties of 2-[2-(dimethylamino)ethyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid?
2-[2-(dimethylamino)ethyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid has a molecular weight of 273.38 g/mol, XLogP of 0.24, 10 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-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 107426068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).