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

C10H23N3O2 — CID 63699097

IUPAC3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)propanoic acid
SMILESCCNC(CN(C)CCN(C)C)C(=O)O
InChIInChI=1S/C10H23N3O2/c1-5-11-9(10(14)15)8-13(4)7-6-12(2)3/h9,11H,5-8H2,1-4H3,(H,14,15)
InChIKeyLIZZAQXLGYZERN-UHFFFAOYSA-N
MW217.31 g/mol
LogP-0.46
Rot. Bonds8

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

3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)propanoic acid (PubChem CID 63699097) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)propanoic acid.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)propanoic acid
PubChem CID63699097
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC Name3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)propanoic acid
SMILESCCNC(CN(C)CCN(C)C)C(=O)O
InChIInChI=1S/C10H23N3O2/c1-5-11-9(10(14)15)8-13(4)7-6-12(2)3/h9,11H,5-8H2,1-4H3,(H,14,15)
InChIKeyLIZZAQXLGYZERN-UHFFFAOYSA-N
XLogP-0.46
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)propanoate
CID 63699450
2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]propanoic acid
CID 64583126
2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoic acid
CID 65485946
(2S)-2-(ethylamino)-3-hydroxypropanoic acid
CID 12003152
acetic acid;2-(ethylamino)-3-hydroxypropanoic acid
CID 87797197
2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propanoic acid
CID 63699458
2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanamide
CID 65487669
2-(ethylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanoic acid
CID 81062128
methyl 2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoate
CID 65487284
ethyl 4-(dimethylamino)-2-(ethylamino)butanoate
CID 63028800
3-[acetyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(ethylamino)propanoic acid
CID 87252145
(2S)-2-(ethylamino)-3-methoxypropanoic acid
CID 149367077

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)propanoic acid?
The IUPAC name of 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)propanoic acid (CID 63699097) is 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)propanoic acid.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)propanoic acid?
The canonical SMILES for 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)propanoic acid is CCNC(CN(C)CCN(C)C)C(=O)O.
What is the InChIKey of 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)propanoic acid?
The InChIKey is LIZZAQXLGYZERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-5-11-9(10(14)15)8-13(4)7-6-12(2)3/h9,11H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)propanoic acid?
3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)propanoic acid has a molecular weight of 217.31 g/mol, XLogP of -0.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)propanoic acid is sourced from PubChem (CID 63699097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).