2-amino-3-[4-[[2-oxo-3-(1-piperidin-4-ylbutyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid

C22H33N3O5 — CID 18176771

IUPAC2-amino-3-[4-[[2-oxo-3-(1-piperidin-4-ylbutyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid
SMILESCCCC(C1CCNCC1)N1CC(COc2ccc(CC(N)C(=O)O)cc2)OC1=O
InChIInChI=1S/C22H33N3O5/c1-2-3-20(16-8-10-24-11-9-16)25-13-18(30-22(25)28)14-29-17-6-4-15(5-7-17)12-19(23)21(26)27/h4-7,16,18-20,24H,2-3,8-14,23H2,1H3,(H,26,27)
InChIKeyYYPLWTLSFBCYLP-UHFFFAOYSA-N
MW419.52 g/mol
LogP2.01
Rot. Bonds10

About 2-amino-3-[4-[[2-oxo-3-(1-piperidin-4-ylbutyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid

2-amino-3-[4-[[2-oxo-3-(1-piperidin-4-ylbutyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid (PubChem CID 18176771) has the molecular formula C22H33N3O5 and a molecular weight of 419.52 g/mol. Its IUPAC name is 2-amino-3-[4-[[2-oxo-3-(1-piperidin-4-ylbutyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[4-[[2-oxo-3-(1-piperidin-4-ylbutyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid
PubChem CID18176771
Molecular FormulaC22H33N3O5
Molecular Weight419.52 g/mol
Exact Mass419.24
IUPAC Name2-amino-3-[4-[[2-oxo-3-(1-piperidin-4-ylbutyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid
SMILESCCCC(C1CCNCC1)N1CC(COc2ccc(CC(N)C(=O)O)cc2)OC1=O
InChIInChI=1S/C22H33N3O5/c1-2-3-20(16-8-10-24-11-9-16)25-13-18(30-22(25)28)14-29-17-6-4-15(5-7-17)12-19(23)21(26)27/h4-7,16,18-20,24H,2-3,8-14,23H2,1H3,(H,26,27)
InChIKeyYYPLWTLSFBCYLP-UHFFFAOYSA-N
XLogP2.01
TPSA114.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-amino-3-[4-[[2-oxo-3-(1-piperidin-4-ylbutyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid with MolForge

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Related Compounds

2-amino-3-[4-[[2-oxo-3-(4-piperidin-4-ylbutyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid
CID 22377713
3-[4-[[3-[5-amino-5-imino-1-[(2-methylpropan-2-yl)oxy]-1-oxo-4-piperidin-4-ylpentan-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]-2-(butylsulfonylamino)propanoic acid
CID 90782455
2-amino-3-[4-(oxolan-2-ylmethoxy)phenyl]propanoic acid
CID 54846765
2-amino-3-[4-[[4-methyl-2-oxo-3-(3-piperidin-4-ylpropyl)-1,3-oxazolidin-5-yl]oxy]phenyl]propanoic acid
CID 67621096
2-amino-3-[4-(2-propylpentanoyloxy)phenyl]propanoic acid
CID 56935731
(2S)-2-amino-3-(4-undecoxyphenyl)propanoic acid
CID 102330984
methyl 2-amino-3-[4-[[3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoate
CID 18176781
5-[(2R)-2-[(5S)-2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid
CID 67744404
methyl 3-[4-[[3-[1-amino-1-[(2-methylpropan-2-yl)oxycarbonylimino]-3-piperazin-1-ylpropan-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]-2-(butylsulfonylamino)propanoate
CID 54447545
(2R)-2-amino-3-[4-(methylsulfanylmethoxy)phenyl]propanoic acid
CID 144552252
2-amino-3-[4-(3-methylbutoxy)phenyl]propanoic acid;hydrochloride
CID 118157824
5-[(3-chlorophenoxy)methyl]-3-(1-hydroxybutyl)-1,3-oxazolidin-2-one
CID 22360064

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-[[2-oxo-3-(1-piperidin-4-ylbutyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid?
The IUPAC name of 2-amino-3-[4-[[2-oxo-3-(1-piperidin-4-ylbutyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid (CID 18176771) is 2-amino-3-[4-[[2-oxo-3-(1-piperidin-4-ylbutyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[4-[[2-oxo-3-(1-piperidin-4-ylbutyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[4-[[2-oxo-3-(1-piperidin-4-ylbutyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid is CCCC(C1CCNCC1)N1CC(COc2ccc(CC(N)C(=O)O)cc2)OC1=O.
What is the InChIKey of 2-amino-3-[4-[[2-oxo-3-(1-piperidin-4-ylbutyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid?
The InChIKey is YYPLWTLSFBCYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O5/c1-2-3-20(16-8-10-24-11-9-16)25-13-18(30-22(25)28)14-29-17-6-4-15(5-7-17)12-19(23)21(26)27/h4-7,16,18-20,24H,2-3,8-14,23H2,1H3,(H,26,27).
What are the key properties of 2-amino-3-[4-[[2-oxo-3-(1-piperidin-4-ylbutyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid?
2-amino-3-[4-[[2-oxo-3-(1-piperidin-4-ylbutyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid has a molecular weight of 419.52 g/mol, XLogP of 2.01, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-[[2-oxo-3-(1-piperidin-4-ylbutyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid is sourced from PubChem (CID 18176771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).