2-amino-3-[4-[[4-methyl-2-oxo-3-(3-piperidin-4-ylpropyl)-1,3-oxazolidin-5-yl]oxy]phenyl]propanoic acid

C21H31N3O5 — CID 67621096

IUPAC2-amino-3-[4-[[4-methyl-2-oxo-3-(3-piperidin-4-ylpropyl)-1,3-oxazolidin-5-yl]oxy]phenyl]propanoic acid
SMILESCC1C(Oc2ccc(CC(N)C(=O)O)cc2)OC(=O)N1CCCC1CCNCC1
InChIInChI=1S/C21H31N3O5/c1-14-20(28-17-6-4-16(5-7-17)13-18(22)19(25)26)29-21(27)24(14)12-2-3-15-8-10-23-11-9-15/h4-7,14-15,18,20,23H,2-3,8-13,22H2,1H3,(H,25,26)
InChIKeyHWOLZJYKTWBGPV-UHFFFAOYSA-N
MW405.50 g/mol
LogP1.97
Rot. Bonds9

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

2-amino-3-[4-[[4-methyl-2-oxo-3-(3-piperidin-4-ylpropyl)-1,3-oxazolidin-5-yl]oxy]phenyl]propanoic acid (PubChem CID 67621096) has the molecular formula C21H31N3O5 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-amino-3-[4-[[4-methyl-2-oxo-3-(3-piperidin-4-ylpropyl)-1,3-oxazolidin-5-yl]oxy]phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[4-[[4-methyl-2-oxo-3-(3-piperidin-4-ylpropyl)-1,3-oxazolidin-5-yl]oxy]phenyl]propanoic acid
PubChem CID67621096
Molecular FormulaC21H31N3O5
Molecular Weight405.50 g/mol
Exact Mass405.23
IUPAC Name2-amino-3-[4-[[4-methyl-2-oxo-3-(3-piperidin-4-ylpropyl)-1,3-oxazolidin-5-yl]oxy]phenyl]propanoic acid
SMILESCC1C(Oc2ccc(CC(N)C(=O)O)cc2)OC(=O)N1CCCC1CCNCC1
InChIInChI=1S/C21H31N3O5/c1-14-20(28-17-6-4-16(5-7-17)13-18(22)19(25)26)29-21(27)24(14)12-2-3-15-8-10-23-11-9-15/h4-7,14-15,18,20,23H,2-3,8-13,22H2,1H3,(H,25,26)
InChIKeyHWOLZJYKTWBGPV-UHFFFAOYSA-N
XLogP1.97
TPSA114.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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
2-amino-3-[4-[[2-oxo-3-(1-piperidin-4-ylbutyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid
CID 18176771
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
(2S)-2-amino-6-piperidin-4-ylhexanoic acid
CID 54155905
2-amino-3-[4-(3-fluorocyclobutyl)oxyphenyl]propanoic acid
CID 75302269
(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24802313
(2R)-2-(butylsulfonylmethyl)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid
CID 46705425
(2S)-2-amino-3-(3-piperidin-4-ylphenyl)propanoic acid
CID 177277385
2-amino-3-[4-(2,2-dimethylpropanoyloxy)phenyl]propanoic acid
CID 10264836
2-[4-(2-amino-2-carboxyethyl)phenoxy]-2-fluoropropanedioic acid
CID 4631018
2-methyl-3-[4-[3-methyl-5-oxo-1-(2-piperidin-4-ylethyl)-1,2,4-triazol-4-yl]phenyl]propanoic acid;hydrochloride
CID 70078431
3-[4-(4-piperidin-4-ylbutoxy)phenyl]-2-(1-sulfinopentylamino)propanoic acid
CID 59922506

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-[[4-methyl-2-oxo-3-(3-piperidin-4-ylpropyl)-1,3-oxazolidin-5-yl]oxy]phenyl]propanoic acid?
The IUPAC name of 2-amino-3-[4-[[4-methyl-2-oxo-3-(3-piperidin-4-ylpropyl)-1,3-oxazolidin-5-yl]oxy]phenyl]propanoic acid (CID 67621096) is 2-amino-3-[4-[[4-methyl-2-oxo-3-(3-piperidin-4-ylpropyl)-1,3-oxazolidin-5-yl]oxy]phenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[4-[[4-methyl-2-oxo-3-(3-piperidin-4-ylpropyl)-1,3-oxazolidin-5-yl]oxy]phenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[4-[[4-methyl-2-oxo-3-(3-piperidin-4-ylpropyl)-1,3-oxazolidin-5-yl]oxy]phenyl]propanoic acid is CC1C(Oc2ccc(CC(N)C(=O)O)cc2)OC(=O)N1CCCC1CCNCC1.
What is the InChIKey of 2-amino-3-[4-[[4-methyl-2-oxo-3-(3-piperidin-4-ylpropyl)-1,3-oxazolidin-5-yl]oxy]phenyl]propanoic acid?
The InChIKey is HWOLZJYKTWBGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O5/c1-14-20(28-17-6-4-16(5-7-17)13-18(22)19(25)26)29-21(27)24(14)12-2-3-15-8-10-23-11-9-15/h4-7,14-15,18,20,23H,2-3,8-13,22H2,1H3,(H,25,26).
What are the key properties of 2-amino-3-[4-[[4-methyl-2-oxo-3-(3-piperidin-4-ylpropyl)-1,3-oxazolidin-5-yl]oxy]phenyl]propanoic acid?
2-amino-3-[4-[[4-methyl-2-oxo-3-(3-piperidin-4-ylpropyl)-1,3-oxazolidin-5-yl]oxy]phenyl]propanoic acid has a molecular weight of 405.50 g/mol, XLogP of 1.97, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-[[4-methyl-2-oxo-3-(3-piperidin-4-ylpropyl)-1,3-oxazolidin-5-yl]oxy]phenyl]propanoic acid is sourced from PubChem (CID 67621096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).