2-morpholin-4-ylethyl (2S)-2-amino-3-[4-[5-(naphthalen-2-ylmethylamino)pyrazin-2-yl]phenyl]propanoate

C30H33N5O3 — CID 59304969

IUPAC2-morpholin-4-ylethyl (2S)-2-amino-3-[4-[5-(naphthalen-2-ylmethylamino)pyrazin-2-yl]phenyl]propanoate
SMILESN[C@@H](Cc1ccc(-c2cnc(NCc3ccc4ccccc4c3)cn2)cc1)C(=O)OCCN1CCOCC1
InChIInChI=1S/C30H33N5O3/c31-27(30(36)38-16-13-35-11-14-37-15-12-35)18-22-5-9-25(10-6-22)28-20-34-29(21-32-28)33-19-23-7-8-24-3-1-2-4-26(24)17-23/h1-10,17,20-21,27H,11-16,18-19,31H2,(H,33,34)/t27-/m0/s1
InChIKeyIMEPJEKULYYELS-MHZLTWQESA-N
MW511.63 g/mol
LogP3.65
Rot. Bonds10

About 2-morpholin-4-ylethyl (2S)-2-amino-3-[4-[5-(naphthalen-2-ylmethylamino)pyrazin-2-yl]phenyl]propanoate

2-morpholin-4-ylethyl (2S)-2-amino-3-[4-[5-(naphthalen-2-ylmethylamino)pyrazin-2-yl]phenyl]propanoate (PubChem CID 59304969) has the molecular formula C30H33N5O3 and a molecular weight of 511.63 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl (2S)-2-amino-3-[4-[5-(naphthalen-2-ylmethylamino)pyrazin-2-yl]phenyl]propanoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl (2S)-2-amino-3-[4-[5-(naphthalen-2-ylmethylamino)pyrazin-2-yl]phenyl]propanoate
PubChem CID59304969
Molecular FormulaC30H33N5O3
Molecular Weight511.63 g/mol
Exact Mass511.26
IUPAC Name2-morpholin-4-ylethyl (2S)-2-amino-3-[4-[5-(naphthalen-2-ylmethylamino)pyrazin-2-yl]phenyl]propanoate
SMILESN[C@@H](Cc1ccc(-c2cnc(NCc3ccc4ccccc4c3)cn2)cc1)C(=O)OCCN1CCOCC1
InChIInChI=1S/C30H33N5O3/c31-27(30(36)38-16-13-35-11-14-37-15-12-35)18-22-5-9-25(10-6-22)28-20-34-29(21-32-28)33-19-23-7-8-24-3-1-2-4-26(24)17-23/h1-10,17,20-21,27H,11-16,18-19,31H2,(H,33,34)/t27-/m0/s1
InChIKeyIMEPJEKULYYELS-MHZLTWQESA-N
XLogP3.65
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.63
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-morpholin-2-ylethyl 2-amino-3-[4-[5-(naphthalen-2-ylmethylamino)pyrazin-2-yl]phenyl]propanoate
CID 174598908
ethyl 2-amino-3-[4-(3-morpholin-4-ylpropoxy)phenyl]propanoate
CID 170886109
methyl 2-amino-3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propanoate
CID 170884349
1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one
CID 2807050
2-methyl-1-(2-morpholin-4-ylethyl)-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 111051711
benzyl (2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoate
CID 54235669
methyl 4-[[[4-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]amino]methyl]benzoate
CID 58930518
6-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 117094011
6-[(4-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109154112
2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799134
3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide
CID 120503385

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl (2S)-2-amino-3-[4-[5-(naphthalen-2-ylmethylamino)pyrazin-2-yl]phenyl]propanoate?
The IUPAC name of 2-morpholin-4-ylethyl (2S)-2-amino-3-[4-[5-(naphthalen-2-ylmethylamino)pyrazin-2-yl]phenyl]propanoate (CID 59304969) is 2-morpholin-4-ylethyl (2S)-2-amino-3-[4-[5-(naphthalen-2-ylmethylamino)pyrazin-2-yl]phenyl]propanoate.
What is the SMILES notation for 2-morpholin-4-ylethyl (2S)-2-amino-3-[4-[5-(naphthalen-2-ylmethylamino)pyrazin-2-yl]phenyl]propanoate?
The canonical SMILES for 2-morpholin-4-ylethyl (2S)-2-amino-3-[4-[5-(naphthalen-2-ylmethylamino)pyrazin-2-yl]phenyl]propanoate is N[C@@H](Cc1ccc(-c2cnc(NCc3ccc4ccccc4c3)cn2)cc1)C(=O)OCCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylethyl (2S)-2-amino-3-[4-[5-(naphthalen-2-ylmethylamino)pyrazin-2-yl]phenyl]propanoate?
The InChIKey is IMEPJEKULYYELS-MHZLTWQESA-N. The full InChI is InChI=1S/C30H33N5O3/c31-27(30(36)38-16-13-35-11-14-37-15-12-35)18-22-5-9-25(10-6-22)28-20-34-29(21-32-28)33-19-23-7-8-24-3-1-2-4-26(24)17-23/h1-10,17,20-21,27H,11-16,18-19,31H2,(H,33,34)/t27-/m0/s1.
What are the key properties of 2-morpholin-4-ylethyl (2S)-2-amino-3-[4-[5-(naphthalen-2-ylmethylamino)pyrazin-2-yl]phenyl]propanoate?
2-morpholin-4-ylethyl (2S)-2-amino-3-[4-[5-(naphthalen-2-ylmethylamino)pyrazin-2-yl]phenyl]propanoate has a molecular weight of 511.63 g/mol, XLogP of 3.65, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl (2S)-2-amino-3-[4-[5-(naphthalen-2-ylmethylamino)pyrazin-2-yl]phenyl]propanoate is sourced from PubChem (CID 59304969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).