2-[2-(dimethylamino)ethyl-[3-(dimethylamino)propanoyl]amino]acetic acid

C11H23N3O3 — CID 107423497

IUPAC2-[2-(dimethylamino)ethyl-[3-(dimethylamino)propanoyl]amino]acetic acid
SMILESCN(C)CCC(=O)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C11H23N3O3/c1-12(2)6-5-10(15)14(9-11(16)17)8-7-13(3)4/h5-9H2,1-4H3,(H,16,17)
InChIKeyKWCSTPRJEANGJT-UHFFFAOYSA-N
MW245.32 g/mol
LogP-0.59
Rot. Bonds8

About 2-[2-(dimethylamino)ethyl-[3-(dimethylamino)propanoyl]amino]acetic acid

2-[2-(dimethylamino)ethyl-[3-(dimethylamino)propanoyl]amino]acetic acid (PubChem CID 107423497) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-[3-(dimethylamino)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-[3-(dimethylamino)propanoyl]amino]acetic acid
PubChem CID107423497
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name2-[2-(dimethylamino)ethyl-[3-(dimethylamino)propanoyl]amino]acetic acid
SMILESCN(C)CCC(=O)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C11H23N3O3/c1-12(2)6-5-10(15)14(9-11(16)17)8-7-13(3)4/h5-9H2,1-4H3,(H,16,17)
InChIKeyKWCSTPRJEANGJT-UHFFFAOYSA-N
XLogP-0.59
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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-[butanoyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802903
2-[2-(dimethylamino)ethyl-pent-4-enoylamino]acetic acid
CID 103802876
2-[2-(dimethylamino)ethyl-(3-pyridin-3-ylpropanoyl)amino]acetic acid
CID 103802557
2-[2-(dimethylamino)ethyl-(2-methylpropanoyl)amino]acetic acid
CID 103802734
2-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 136574179
2-[2-(dimethylamino)ethyl-(4-methoxy-3-methylbutanoyl)amino]acetic acid
CID 103802618
2-[2-(dimethylamino)ethyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetic acid
CID 103802783
2-[octadecanoyl(pentyl)amino]acetic acid
CID 175340865
2-[hexadecyl(nonanoyl)amino]acetic acid
CID 138918698
3-(dimethylamino)-N,N-bis(2-hydroxyethyl)propanamide;ethane
CID 168940710
2-[[4-(dipropylamino)-4-oxobutanoyl]-ethylamino]acetic acid
CID 119206224
3-[methyl((113C)methyl)amino]propanoic acid;hydrochloride
CID 172746252

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-[3-(dimethylamino)propanoyl]amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-[3-(dimethylamino)propanoyl]amino]acetic acid (CID 107423497) is 2-[2-(dimethylamino)ethyl-[3-(dimethylamino)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-[3-(dimethylamino)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-[3-(dimethylamino)propanoyl]amino]acetic acid is CN(C)CCC(=O)N(CCN(C)C)CC(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-[3-(dimethylamino)propanoyl]amino]acetic acid?
The InChIKey is KWCSTPRJEANGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-12(2)6-5-10(15)14(9-11(16)17)8-7-13(3)4/h5-9H2,1-4H3,(H,16,17).
What are the key properties of 2-[2-(dimethylamino)ethyl-[3-(dimethylamino)propanoyl]amino]acetic acid?
2-[2-(dimethylamino)ethyl-[3-(dimethylamino)propanoyl]amino]acetic acid has a molecular weight of 245.32 g/mol, XLogP of -0.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-[3-(dimethylamino)propanoyl]amino]acetic acid is sourced from PubChem (CID 107423497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).