ethyl 2-amino-2-cyclopropyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoate

C16H30N2O2 — CID 114596411

IUPACethyl 2-amino-2-cyclopropyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoate
SMILESCCOC(=O)C(N)(CN1CC(C)CC(C)C1C)C1CC1
InChIInChI=1S/C16H30N2O2/c1-5-20-15(19)16(17,14-6-7-14)10-18-9-11(2)8-12(3)13(18)4/h11-14H,5-10,17H2,1-4H3
InChIKeyOBRDCKWQEIHHED-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.02
Rot. Bonds5

About ethyl 2-amino-2-cyclopropyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoate

ethyl 2-amino-2-cyclopropyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoate (PubChem CID 114596411) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is ethyl 2-amino-2-cyclopropyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-cyclopropyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoate
PubChem CID114596411
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nameethyl 2-amino-2-cyclopropyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoate
SMILESCCOC(=O)C(N)(CN1CC(C)CC(C)C1C)C1CC1
InChIInChI=1S/C16H30N2O2/c1-5-20-15(19)16(17,14-6-7-14)10-18-9-11(2)8-12(3)13(18)4/h11-14H,5-10,17H2,1-4H3
InChIKeyOBRDCKWQEIHHED-UHFFFAOYSA-N
XLogP2.02
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-2-cyclopropyl-3-(3-methylpyrrolidin-1-yl)propanoate
CID 63910147
ethyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate
CID 63907466
3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pentan-3-amine
CID 114593805
ethyl 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-amino-2-cyclopropylpropanoate
CID 102728050
ethyl 2-amino-3-(2,3,5-trimethylpiperidin-1-yl)propanoate
CID 114596345
ethyl 2-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)-2-(methylamino)propanoate
CID 63907702
ethyl 2-amino-2-cyclopropyl-3-(2-methylmorpholin-4-yl)propanoate
CID 63907673
2,2-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoic acid
CID 114593995
ethyl 2,3,5-trimethylpiperidine-1-carboxylate
CID 114597475
methyl 2-methyl-2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanoate
CID 114596359
ethyl 2-amino-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propanoate
CID 63921669
1-cyclopentyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanone
CID 114594142

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-cyclopropyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoate?
The IUPAC name of ethyl 2-amino-2-cyclopropyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoate (CID 114596411) is ethyl 2-amino-2-cyclopropyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoate.
What is the SMILES notation for ethyl 2-amino-2-cyclopropyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoate?
The canonical SMILES for ethyl 2-amino-2-cyclopropyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoate is CCOC(=O)C(N)(CN1CC(C)CC(C)C1C)C1CC1.
What is the InChIKey of ethyl 2-amino-2-cyclopropyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoate?
The InChIKey is OBRDCKWQEIHHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-5-20-15(19)16(17,14-6-7-14)10-18-9-11(2)8-12(3)13(18)4/h11-14H,5-10,17H2,1-4H3.
What are the key properties of ethyl 2-amino-2-cyclopropyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoate?
ethyl 2-amino-2-cyclopropyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoate has a molecular weight of 282.43 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-cyclopropyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoate is sourced from PubChem (CID 114596411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).