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

C11H23N3O3 — CID 107425598

IUPAC2-[2-(dimethylamino)ethyl-[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetic acid
SMILESCC(C(=O)N(C)C)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C11H23N3O3/c1-9(11(17)13(4)5)14(8-10(15)16)7-6-12(2)3/h9H,6-8H2,1-5H3,(H,15,16)
InChIKeySXIGFSRZFLCVLO-UHFFFAOYSA-N
MW245.32 g/mol
LogP-0.59
Rot. Bonds7

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

2-[2-(dimethylamino)ethyl-[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetic acid (PubChem CID 107425598) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetic acid
PubChem CID107425598
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name2-[2-(dimethylamino)ethyl-[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetic acid
SMILESCC(C(=O)N(C)C)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C11H23N3O3/c1-9(11(17)13(4)5)14(8-10(15)16)7-6-12(2)3/h9H,6-8H2,1-5H3,(H,15,16)
InChIKeySXIGFSRZFLCVLO-UHFFFAOYSA-N
XLogP-0.59
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
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-[2-(dimethylamino)ethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 107425496
2-[2-(dimethylamino)ethyl-(2-methylpentan-3-yl)amino]acetic acid
CID 107426132
2-[[1-(dimethylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetic acid
CID 60838093
2-[2-(dimethylamino)ethyl-heptan-2-ylamino]acetic acid
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2-[2-(dimethylamino)ethyl-(2-methylpropanoyl)amino]acetic acid
CID 103802734
2-[2-[2-[1-carboxyethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]propanoic acid
CID 19033802
2-[1-cyclopentylethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107426275
2-[2-(dimethylamino)ethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
CID 107426146
2-[1-(2,6-dihydroxyphenyl)ethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107711650
2-(dibutylamino)-N,N-dimethylpropanamide
CID 162754139
2-[2-(dimethylamino)ethyl-[1-(2-methoxyphenyl)ethyl]amino]acetic acid
CID 107426423

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetic acid (CID 107425598) is 2-[2-(dimethylamino)ethyl-[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetic acid is CC(C(=O)N(C)C)N(CCN(C)C)CC(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetic acid?
The InChIKey is SXIGFSRZFLCVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-9(11(17)13(4)5)14(8-10(15)16)7-6-12(2)3/h9H,6-8H2,1-5H3,(H,15,16).
What are the key properties of 2-[2-(dimethylamino)ethyl-[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetic acid?
2-[2-(dimethylamino)ethyl-[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetic acid has a molecular weight of 245.32 g/mol, XLogP of -0.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetic acid is sourced from PubChem (CID 107425598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).