2-[2-(dimethylamino)ethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid

C13H27N3O3 — CID 107425496

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

About 2-[2-(dimethylamino)ethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid

2-[2-(dimethylamino)ethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid (PubChem CID 107425496) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid
PubChem CID107425496
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC Name2-[2-(dimethylamino)ethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid
SMILESCC(C)CNC(=O)C(C)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C13H27N3O3/c1-10(2)8-14-13(19)11(3)16(9-12(17)18)7-6-15(4)5/h10-11H,6-9H2,1-5H3,(H,14,19)(H,17,18)
InChIKeyGLLCUBGHQCPXIZ-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-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid
CID 107426058
2-[cyclopropylmethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43656825
2-[2-(dimethylamino)ethyl-[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 107425598
2-[butan-2-yl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 54925908
2-[ethyl(2-hydroxyethyl)amino]-N-(2-methylpropyl)propanamide
CID 60686188
2-[2-hydroxyethyl(methyl)amino]-N-(2-methylpropyl)propanamide
CID 60683962
2-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 54900395
2-[2-(dimethylamino)ethyl-(2-methylpentan-3-yl)amino]acetic acid
CID 107426132
2-[carboxymethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 63646159
2-[[1-(methylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid
CID 63065911
2-[[1-oxo-1-(propylamino)propan-2-yl]-prop-2-ynylamino]acetic acid
CID 79283109
2-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-propylamino]acetic acid
CID 54899159

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid (CID 107425496) is 2-[2-(dimethylamino)ethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid is CC(C)CNC(=O)C(C)N(CCN(C)C)CC(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid?
The InChIKey is GLLCUBGHQCPXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-10(2)8-14-13(19)11(3)16(9-12(17)18)7-6-15(4)5/h10-11H,6-9H2,1-5H3,(H,14,19)(H,17,18).
What are the key properties of 2-[2-(dimethylamino)ethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid?
2-[2-(dimethylamino)ethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]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-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid is sourced from PubChem (CID 107425496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).