ethyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propylamino)propanoate

C17H32N2O2 — CID 63907026

IUPACethyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propylamino)propanoate
SMILESCCCNC(CN1CCCCC1C)(C(=O)OCC)C1CC1
InChIInChI=1S/C17H32N2O2/c1-4-11-18-17(15-9-10-15,16(20)21-5-2)13-19-12-7-6-8-14(19)3/h14-15,18H,4-13H2,1-3H3
InChIKeyMJYKCTQOJIZWIE-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.57
Rot. Bonds8

About ethyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propylamino)propanoate

ethyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propylamino)propanoate (PubChem CID 63907026) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propylamino)propanoate
PubChem CID63907026
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nameethyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propylamino)propanoate
SMILESCCCNC(CN1CCCCC1C)(C(=O)OCC)C1CC1
InChIInChI=1S/C17H32N2O2/c1-4-11-18-17(15-9-10-15,16(20)21-5-2)13-19-12-7-6-8-14(19)3/h14-15,18H,4-13H2,1-3H3
InChIKeyMJYKCTQOJIZWIE-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-cyclopropyl-3-(2,3-dimethylpiperidin-1-yl)-2-(ethylamino)propanoate
CID 63926194
methyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 63907850
ethyl 3-(azepan-1-yl)-2-cyclopropyl-2-(ethylamino)propanoate
CID 63907858
ethyl 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propanoate
CID 63919160
ethyl 2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanoate
CID 63921616
ethyl 3-(2-ethylazepan-1-yl)-2-methyl-2-(propylamino)propanoate
CID 104691578
ethyl 2-cyclopropyl-3-[2,2-dimethylpropyl(methyl)amino]-2-(propylamino)propanoate
CID 63911759
2-cyclopropyl-2-(propylamino)-3-pyrrolidin-1-ylpropanoic acid
CID 63907207
ethyl 2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoate
CID 63905558
ethyl 2-cyclopropyl-3-(3-methylbutan-2-ylsulfanyl)-2-(propylamino)propanoate
CID 107755679
methyl 2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propylamino)propanoate
CID 63909725
ethyl 2-cyclopropyl-2-(ethylamino)-3-(4-methylpiperazin-1-yl)propanoate
CID 63907855

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propylamino)propanoate?
The IUPAC name of ethyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propylamino)propanoate (CID 63907026) is ethyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propylamino)propanoate.
What is the SMILES notation for ethyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propylamino)propanoate?
The canonical SMILES for ethyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propylamino)propanoate is CCCNC(CN1CCCCC1C)(C(=O)OCC)C1CC1.
What is the InChIKey of ethyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propylamino)propanoate?
The InChIKey is MJYKCTQOJIZWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-4-11-18-17(15-9-10-15,16(20)21-5-2)13-19-12-7-6-8-14(19)3/h14-15,18H,4-13H2,1-3H3.
What are the key properties of ethyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propylamino)propanoate?
ethyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propylamino)propanoate has a molecular weight of 296.45 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propylamino)propanoate is sourced from PubChem (CID 63907026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).