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

C12H24N2O2 — CID 62930265

IUPACethyl 2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoate
SMILESCCOC(=O)C(N)CN1CCC(C)(C)CC1
InChIInChI=1S/C12H24N2O2/c1-4-16-11(15)10(13)9-14-7-5-12(2,3)6-8-14/h10H,4-9,13H2,1-3H3
InChIKeyHGDTUMCRHLUCFL-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.00
Rot. Bonds4

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

ethyl 2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoate (PubChem CID 62930265) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is ethyl 2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoate
PubChem CID62930265
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nameethyl 2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoate
SMILESCCOC(=O)C(N)CN1CCC(C)(C)CC1
InChIInChI=1S/C12H24N2O2/c1-4-16-11(15)10(13)9-14-7-5-12(2,3)6-8-14/h10H,4-9,13H2,1-3H3
InChIKeyHGDTUMCRHLUCFL-UHFFFAOYSA-N
XLogP1.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoic acid
CID 62932657
ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate
CID 70159679
ethyl 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoate
CID 81097454
ethyl 2-amino-3-(4-methylazepan-1-yl)propanoate
CID 63623582
ethyl 3-(4,4-dimethylpiperidin-1-yl)propanoate
CID 62922576
methyl 3-(4,4-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 62930775
1-(4,4-dimethylpiperidin-1-yl)-3-methylpentan-2-amine
CID 62932695
ethyl 2-amino-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate
CID 102966332
ethyl 2-amino-3-(3,4-dimethylpiperazin-1-yl)propanoate
CID 63635584
1-(4,4-dimethylpiperidin-1-yl)-3-ethoxypropan-2-ol
CID 63931924
methyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)propanoate
CID 55155554
ethyl 4-(2,3-diamino-3-oxopropyl)piperazine-1-carboxylate
CID 107877194

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoate?
The IUPAC name of ethyl 2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoate (CID 62930265) is ethyl 2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoate is CCOC(=O)C(N)CN1CCC(C)(C)CC1.
What is the InChIKey of ethyl 2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoate?
The InChIKey is HGDTUMCRHLUCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-16-11(15)10(13)9-14-7-5-12(2,3)6-8-14/h10H,4-9,13H2,1-3H3.
What are the key properties of ethyl 2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoate?
ethyl 2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoate has a molecular weight of 228.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoate is sourced from PubChem (CID 62930265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).