methyl 2-amino-3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propanoate

C17H26N2O5 — CID 170884349

IUPACmethyl 2-amino-3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propanoate
SMILESCOC(=O)C(N)Cc1ccc(OCCN2CCOCC2)c(OC)c1
InChIInChI=1S/C17H26N2O5/c1-21-16-12-13(11-14(18)17(20)22-2)3-4-15(16)24-10-7-19-5-8-23-9-6-19/h3-4,12,14H,5-11,18H2,1-2H3
InChIKeyHKYBBSJHFLEAPR-UHFFFAOYSA-N
MW338.40 g/mol
LogP0.45
Rot. Bonds8

About methyl 2-amino-3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propanoate

methyl 2-amino-3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propanoate (PubChem CID 170884349) has the molecular formula C17H26N2O5 and a molecular weight of 338.40 g/mol. Its IUPAC name is methyl 2-amino-3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propanoate
PubChem CID170884349
Molecular FormulaC17H26N2O5
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Namemethyl 2-amino-3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propanoate
SMILESCOC(=O)C(N)Cc1ccc(OCCN2CCOCC2)c(OC)c1
InChIInChI=1S/C17H26N2O5/c1-21-16-12-13(11-14(18)17(20)22-2)3-4-15(16)24-10-7-19-5-8-23-9-6-19/h3-4,12,14H,5-11,18H2,1-2H3
InChIKeyHKYBBSJHFLEAPR-UHFFFAOYSA-N
XLogP0.45
TPSA83.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-amino-3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propanoate
CID 170884561
4-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265
methyl 2-amino-3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate
CID 170884590
N-ethyl-3-methoxy-4-(2-morpholin-4-ylethoxy)benzamide
CID 166767320
2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 22687397
hydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride
CID 660605
ethyl 3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate
CID 69299982
methyl 3-(4-acetyloxy-3-methoxyphenyl)-2-aminopropanoate
CID 170883282
[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]urea
CID 168532539
3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 19004562
4-[4-(2-methoxy-4-propylphenoxy)butyl]morpholine;hydrochloride
CID 2993564
4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]morpholine
CID 58923296

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propanoate?
The IUPAC name of methyl 2-amino-3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propanoate (CID 170884349) is methyl 2-amino-3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propanoate.
What is the SMILES notation for methyl 2-amino-3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propanoate?
The canonical SMILES for methyl 2-amino-3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propanoate is COC(=O)C(N)Cc1ccc(OCCN2CCOCC2)c(OC)c1.
What is the InChIKey of methyl 2-amino-3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propanoate?
The InChIKey is HKYBBSJHFLEAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5/c1-21-16-12-13(11-14(18)17(20)22-2)3-4-15(16)24-10-7-19-5-8-23-9-6-19/h3-4,12,14H,5-11,18H2,1-2H3.
What are the key properties of methyl 2-amino-3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propanoate?
methyl 2-amino-3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propanoate has a molecular weight of 338.40 g/mol, XLogP of 0.45, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propanoate is sourced from PubChem (CID 170884349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).