methyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate

C16H30N2O2 — CID 63907850

IUPACmethyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
SMILESCOC(=O)C(CN1CCCCC1C)(NC(C)C)C1CC1
InChIInChI=1S/C16H30N2O2/c1-12(2)17-16(14-8-9-14,15(19)20-4)11-18-10-6-5-7-13(18)3/h12-14,17H,5-11H2,1-4H3
InChIKeyJQLSKYMQVYWPHD-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.18
Rot. Bonds6

About methyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate

methyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate (PubChem CID 63907850) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is methyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
PubChem CID63907850
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Namemethyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
SMILESCOC(=O)C(CN1CCCCC1C)(NC(C)C)C1CC1
InChIInChI=1S/C16H30N2O2/c1-12(2)17-16(14-8-9-14,15(19)20-4)11-18-10-6-5-7-13(18)3/h12-14,17H,5-11H2,1-4H3
InChIKeyJQLSKYMQVYWPHD-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-cyclopropyl-3-(2,6-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 63908288
methyl 2-cyclopropyl-3-(3,4-dimethylpiperazin-1-yl)-2-(propan-2-ylamino)propanoate
CID 63926632
methyl 2-cyclopropyl-3-(3-ethylmorpholin-4-yl)-2-(propan-2-ylamino)propanoate
CID 63909549
ethyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propylamino)propanoate
CID 63907026
2-cyclopropyl-3-(2-methylazepan-1-yl)-2-(propan-2-ylamino)propan-1-ol
CID 64791236
2-cyclopropyl-3-(2,3-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoic acid
CID 63925992
methyl 2-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-2-(propan-2-ylamino)propanoate
CID 63921517
2-cyclopropyl-3-piperidin-1-yl-2-(propan-2-ylamino)propanoic acid
CID 63908091
methyl 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanoate
CID 63908711
methyl 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propan-2-ylamino)propanoate
CID 63919161
ethyl 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 79178055
methyl 2-cyclopropyl-2-(propan-2-ylamino)propanoate
CID 60786156

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate?
The IUPAC name of methyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate (CID 63907850) is methyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate?
The canonical SMILES for methyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate is COC(=O)C(CN1CCCCC1C)(NC(C)C)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate?
The InChIKey is JQLSKYMQVYWPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12(2)17-16(14-8-9-14,15(19)20-4)11-18-10-6-5-7-13(18)3/h12-14,17H,5-11H2,1-4H3.
What are the key properties of methyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate?
methyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate has a molecular weight of 282.43 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate is sourced from PubChem (CID 63907850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).