2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]propanoic acid

C10H21N3O3 — CID 64583126

IUPAC2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]propanoic acid
SMILESCC(=O)NC(CN(C)CCN(C)C)C(=O)O
InChIInChI=1S/C10H21N3O3/c1-8(14)11-9(10(15)16)7-13(4)6-5-12(2)3/h9H,5-7H2,1-4H3,(H,11,14)(H,15,16)
InChIKeyIBADYCVYEUBHNP-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.93
Rot. Bonds7

About 2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]propanoic acid

2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]propanoic acid (PubChem CID 64583126) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]propanoic acid
PubChem CID64583126
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]propanoic acid
SMILESCC(=O)NC(CN(C)CCN(C)C)C(=O)O
InChIInChI=1S/C10H21N3O3/c1-8(14)11-9(10(15)16)7-13(4)6-5-12(2)3/h9H,5-7H2,1-4H3,(H,11,14)(H,15,16)
InChIKeyIBADYCVYEUBHNP-UHFFFAOYSA-N
XLogP-0.93
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-3-[methyl-[2-(methylamino)ethyl]amino]propanoic acid
CID 64583318
3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)propanoic acid
CID 63699097
2-acetamido-3-[2,2-dimethylpropyl(methyl)amino]propanoic acid
CID 64582721
2-acetamido-3-[bis(2-methylpropyl)amino]propanoic acid
CID 64582308
2-acetamido-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanoic acid
CID 64583130
(2R)-2-acetamido-3-[2-(dimethylamino)ethylsulfanyl]propanoic acid
CID 107774722
2-acetamido-3-[methyl(4-methylpentan-2-yl)amino]propanoic acid
CID 64582521
(2S)-2-acetamido-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid
CID 71358024
2-acetamido-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanoic acid
CID 64581916
2-acetamido-3-[cyclohexyl(methyl)amino]propanoic acid
CID 64581715
tris(2-acetamidobutanedioic acid);phosphane
CID 174666186
2-acetamido-3-hydroxypropanoic acid;sulfane
CID 175323357

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]propanoic acid?
The IUPAC name of 2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]propanoic acid (CID 64583126) is 2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]propanoic acid.
What is the SMILES notation for 2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]propanoic acid?
The canonical SMILES for 2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]propanoic acid is CC(=O)NC(CN(C)CCN(C)C)C(=O)O.
What is the InChIKey of 2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]propanoic acid?
The InChIKey is IBADYCVYEUBHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-8(14)11-9(10(15)16)7-13(4)6-5-12(2)3/h9H,5-7H2,1-4H3,(H,11,14)(H,15,16).
What are the key properties of 2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]propanoic acid?
2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]propanoic acid has a molecular weight of 231.30 g/mol, XLogP of -0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]propanoic acid is sourced from PubChem (CID 64583126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).