ethyl 2-amino-3-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]propanoate

C19H30N2O3 — CID 170886095

IUPACethyl 2-amino-3-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]propanoate
SMILESCCOC(=O)C(N)Cc1ccc(OCCN2CCCCC2C)cc1
InChIInChI=1S/C19H30N2O3/c1-3-23-19(22)18(20)14-16-7-9-17(10-8-16)24-13-12-21-11-5-4-6-15(21)2/h7-10,15,18H,3-6,11-14,20H2,1-2H3
InChIKeyLDXOLAFSFWLYLE-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.37
Rot. Bonds8

About ethyl 2-amino-3-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]propanoate

ethyl 2-amino-3-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]propanoate (PubChem CID 170886095) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is ethyl 2-amino-3-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]propanoate
PubChem CID170886095
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Nameethyl 2-amino-3-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]propanoate
SMILESCCOC(=O)C(N)Cc1ccc(OCCN2CCCCC2C)cc1
InChIInChI=1S/C19H30N2O3/c1-3-23-19(22)18(20)14-16-7-9-17(10-8-16)24-13-12-21-11-5-4-6-15(21)2/h7-10,15,18H,3-6,11-14,20H2,1-2H3
InChIKeyLDXOLAFSFWLYLE-UHFFFAOYSA-N
XLogP2.37
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine
CID 43253338
3-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170881690
(2R)-1-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperidine
CID 166625466
ethyl 2-amino-3-[4-(3-morpholin-4-ylpropoxy)phenyl]propanoate
CID 170886109
[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine
CID 43253349
4-[2-(2-methylpiperidin-1-yl)ethoxy]benzaldehyde
CID 6504237
2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 11948033
2-methyl-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide
CID 100736402
(2S)-2,4-dimethyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypentanamide
CID 125061163
2-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide
CID 119850923
(2R)-2-ethoxy-2-methyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]heptanamide
CID 125061140
1-[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911329

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]propanoate?
The IUPAC name of ethyl 2-amino-3-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]propanoate (CID 170886095) is ethyl 2-amino-3-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]propanoate.
What is the SMILES notation for ethyl 2-amino-3-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]propanoate?
The canonical SMILES for ethyl 2-amino-3-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]propanoate is CCOC(=O)C(N)Cc1ccc(OCCN2CCCCC2C)cc1.
What is the InChIKey of ethyl 2-amino-3-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]propanoate?
The InChIKey is LDXOLAFSFWLYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-3-23-19(22)18(20)14-16-7-9-17(10-8-16)24-13-12-21-11-5-4-6-15(21)2/h7-10,15,18H,3-6,11-14,20H2,1-2H3.
What are the key properties of ethyl 2-amino-3-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]propanoate?
ethyl 2-amino-3-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]propanoate has a molecular weight of 334.46 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]propanoate is sourced from PubChem (CID 170886095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).