ethyl 2-(cyclopropylamino)-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate

C15H28N2O3 — CID 102966348

IUPACethyl 2-(cyclopropylamino)-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate
SMILESCCOC(=O)C(CN1CCC(C)C(OC)C1)NC1CC1
InChIInChI=1S/C15H28N2O3/c1-4-20-15(18)13(16-12-5-6-12)9-17-8-7-11(2)14(10-17)19-3/h11-14,16H,4-10H2,1-3H3
InChIKeyCMUDTVCAQFGTOE-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.03
Rot. Bonds7

About ethyl 2-(cyclopropylamino)-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate

ethyl 2-(cyclopropylamino)-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate (PubChem CID 102966348) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate
PubChem CID102966348
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nameethyl 2-(cyclopropylamino)-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate
SMILESCCOC(=O)C(CN1CCC(C)C(OC)C1)NC1CC1
InChIInChI=1S/C15H28N2O3/c1-4-20-15(18)13(16-12-5-6-12)9-17-8-7-11(2)14(10-17)19-3/h11-14,16H,4-10H2,1-3H3
InChIKeyCMUDTVCAQFGTOE-UHFFFAOYSA-N
XLogP1.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate
CID 102966332
ethyl 2-(cyclopropylamino)-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanoate
CID 81475150
ethyl 3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-(cyclopropylamino)propanoate
CID 63151346
ethyl 2-(cyclopropylamino)-4-(4-methylpiperidin-1-yl)butanoate
CID 63027972
1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]propan-2-ol
CID 124829258
ethyl 3-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(propylamino)propanoate
CID 102966305
methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate
CID 55158561
methyl 2-(ethylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)butanoate
CID 102966363
methyl 2-(cyclopropylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoate
CID 63635593
(2S)-1-(3-methoxy-4-methylpiperidin-1-yl)propan-2-amine
CID 102965393
ethyl 2-(cyclopropylamino)-4-(4-ethylpiperidin-1-yl)butanoate
CID 63053623
1-(3-methoxy-4-methylpiperidin-1-yl)-N-methylbutan-2-amine
CID 102965443

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate?
The IUPAC name of ethyl 2-(cyclopropylamino)-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate (CID 102966348) is ethyl 2-(cyclopropylamino)-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate is CCOC(=O)C(CN1CCC(C)C(OC)C1)NC1CC1.
What is the InChIKey of ethyl 2-(cyclopropylamino)-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate?
The InChIKey is CMUDTVCAQFGTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-20-15(18)13(16-12-5-6-12)9-17-8-7-11(2)14(10-17)19-3/h11-14,16H,4-10H2,1-3H3.
What are the key properties of ethyl 2-(cyclopropylamino)-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate?
ethyl 2-(cyclopropylamino)-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate has a molecular weight of 284.40 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate is sourced from PubChem (CID 102966348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).