methyl 2-amino-3-[4-[[4-methyl-2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]oxy]phenyl]propanoate

C22H33N3O5 — CID 67621383

IUPACmethyl 2-amino-3-[4-[[4-methyl-2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]oxy]phenyl]propanoate
SMILESCOC(=O)C(N)Cc1ccc(OC2OC(=O)N(C3CCN(C(C)C)CC3)C2C)cc1
InChIInChI=1S/C22H33N3O5/c1-14(2)24-11-9-17(10-12-24)25-15(3)21(30-22(25)27)29-18-7-5-16(6-8-18)13-19(23)20(26)28-4/h5-8,14-15,17,19,21H,9-13,23H2,1-4H3
InChIKeyVPYFIHCQMDGVKO-UHFFFAOYSA-N
MW419.52 g/mol
LogP2.15
Rot. Bonds7

About methyl 2-amino-3-[4-[[4-methyl-2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]oxy]phenyl]propanoate

methyl 2-amino-3-[4-[[4-methyl-2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]oxy]phenyl]propanoate (PubChem CID 67621383) has the molecular formula C22H33N3O5 and a molecular weight of 419.52 g/mol. Its IUPAC name is methyl 2-amino-3-[4-[[4-methyl-2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]oxy]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[4-[[4-methyl-2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]oxy]phenyl]propanoate
PubChem CID67621383
Molecular FormulaC22H33N3O5
Molecular Weight419.52 g/mol
Exact Mass419.24
IUPAC Namemethyl 2-amino-3-[4-[[4-methyl-2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]oxy]phenyl]propanoate
SMILESCOC(=O)C(N)Cc1ccc(OC2OC(=O)N(C3CCN(C(C)C)CC3)C2C)cc1
InChIInChI=1S/C22H33N3O5/c1-14(2)24-11-9-17(10-12-24)25-15(3)21(30-22(25)27)29-18-7-5-16(6-8-18)13-19(23)20(26)28-4/h5-8,14-15,17,19,21H,9-13,23H2,1-4H3
InChIKeyVPYFIHCQMDGVKO-UHFFFAOYSA-N
XLogP2.15
TPSA94.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-amino-3-[4-[[4-methyl-2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]oxy]phenyl]propanoate with MolForge

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Related Compounds

2-amino-3-[4-[[4-methyl-2-oxo-3-(3-piperidin-4-ylpropyl)-1,3-oxazolidin-5-yl]oxy]phenyl]propanoic acid
CID 67621096
methyl (2R)-2-amino-3-(4-propan-2-yloxyphenyl)propanoate
CID 131251632
methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride
CID 162332781
methyl 2-amino-3-[4-(2-ethenylcyclopropyl)oxyphenyl]propanoate
CID 144819638
N-[1-(4-methoxyphenyl)propan-2-yl]-1-propan-2-ylpiperidin-4-amine
CID 43508797
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
methyl 2-amino-3-[4-(2-oxopropoxy)phenyl]propanoate
CID 143703835
methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
CID 54763157
methyl (2R)-2-amino-3-(4-chlorophenyl)propanoate
CID 827422
methyl 2-amino-3-[4-(4-methylphenyl)phenyl]propanoate
CID 57296251
methyl (2S)-3-[4-(4-acetylphenyl)phenyl]-2-aminopropanoate;hydrochloride
CID 46172850
methyl (2S)-2-amino-3-[4-[(4-formylphenyl)methyl]phenyl]propanoate
CID 87405102

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[4-[[4-methyl-2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]oxy]phenyl]propanoate?
The IUPAC name of methyl 2-amino-3-[4-[[4-methyl-2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]oxy]phenyl]propanoate (CID 67621383) is methyl 2-amino-3-[4-[[4-methyl-2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]oxy]phenyl]propanoate.
What is the SMILES notation for methyl 2-amino-3-[4-[[4-methyl-2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]oxy]phenyl]propanoate?
The canonical SMILES for methyl 2-amino-3-[4-[[4-methyl-2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]oxy]phenyl]propanoate is COC(=O)C(N)Cc1ccc(OC2OC(=O)N(C3CCN(C(C)C)CC3)C2C)cc1.
What is the InChIKey of methyl 2-amino-3-[4-[[4-methyl-2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]oxy]phenyl]propanoate?
The InChIKey is VPYFIHCQMDGVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O5/c1-14(2)24-11-9-17(10-12-24)25-15(3)21(30-22(25)27)29-18-7-5-16(6-8-18)13-19(23)20(26)28-4/h5-8,14-15,17,19,21H,9-13,23H2,1-4H3.
What are the key properties of methyl 2-amino-3-[4-[[4-methyl-2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]oxy]phenyl]propanoate?
methyl 2-amino-3-[4-[[4-methyl-2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]oxy]phenyl]propanoate has a molecular weight of 419.52 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[4-[[4-methyl-2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]oxy]phenyl]propanoate is sourced from PubChem (CID 67621383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).