ethyl 2-amino-3-(3,4-dimethylpiperazin-1-yl)propanoate

C11H23N3O2 — CID 63635584

IUPACethyl 2-amino-3-(3,4-dimethylpiperazin-1-yl)propanoate
SMILESCCOC(=O)C(N)CN1CCN(C)C(C)C1
InChIInChI=1S/C11H23N3O2/c1-4-16-11(15)10(12)8-14-6-5-13(3)9(2)7-14/h9-10H,4-8,12H2,1-3H3
InChIKeyMXEFYQPLBYVYBZ-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.49
Rot. Bonds4

About ethyl 2-amino-3-(3,4-dimethylpiperazin-1-yl)propanoate

ethyl 2-amino-3-(3,4-dimethylpiperazin-1-yl)propanoate (PubChem CID 63635584) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethyl 2-amino-3-(3,4-dimethylpiperazin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(3,4-dimethylpiperazin-1-yl)propanoate
PubChem CID63635584
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Nameethyl 2-amino-3-(3,4-dimethylpiperazin-1-yl)propanoate
SMILESCCOC(=O)C(N)CN1CCN(C)C(C)C1
InChIInChI=1S/C11H23N3O2/c1-4-16-11(15)10(12)8-14-6-5-13(3)9(2)7-14/h9-10H,4-8,12H2,1-3H3
InChIKeyMXEFYQPLBYVYBZ-UHFFFAOYSA-N
XLogP-0.49
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-3-(4-methylazepan-1-yl)propanoate
CID 63623582
methyl 3-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)propanoate
CID 63635767
ethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate
CID 63635250
(2S)-1-(3,4-dimethylpiperazin-1-yl)propan-2-amine
CID 103934656
ethyl 2-amino-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate
CID 102966332
1-(3,4-dimethylpiperazin-1-yl)butan-2-ol
CID 63633779
1-(3,4-dimethylpiperazin-1-yl)-3-methylbutan-2-amine
CID 63621228
ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate
CID 70159679
(2S)-1-amino-3-(3,4-dimethylpiperazin-1-yl)propan-2-ol
CID 130492464
methyl 2-amino-3-(3,4,5-trimethylpiperazin-1-yl)propanoate
CID 114539347
3-(3,4-dimethylpiperazin-1-yl)-2-(propan-2-ylamino)propanoic acid
CID 55217366
ethyl 2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoate
CID 62930265

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(3,4-dimethylpiperazin-1-yl)propanoate?
The IUPAC name of ethyl 2-amino-3-(3,4-dimethylpiperazin-1-yl)propanoate (CID 63635584) is ethyl 2-amino-3-(3,4-dimethylpiperazin-1-yl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(3,4-dimethylpiperazin-1-yl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(3,4-dimethylpiperazin-1-yl)propanoate is CCOC(=O)C(N)CN1CCN(C)C(C)C1.
What is the InChIKey of ethyl 2-amino-3-(3,4-dimethylpiperazin-1-yl)propanoate?
The InChIKey is MXEFYQPLBYVYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-4-16-11(15)10(12)8-14-6-5-13(3)9(2)7-14/h9-10H,4-8,12H2,1-3H3.
What are the key properties of ethyl 2-amino-3-(3,4-dimethylpiperazin-1-yl)propanoate?
ethyl 2-amino-3-(3,4-dimethylpiperazin-1-yl)propanoate has a molecular weight of 229.32 g/mol, XLogP of -0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(3,4-dimethylpiperazin-1-yl)propanoate is sourced from PubChem (CID 63635584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).