2-[3-[(1S)-1-[(6R)-6-methyl-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenoxy]acetic acid

C21H23NO5 — CID 66857552

IUPAC2-[3-[(1S)-1-[(6R)-6-methyl-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenoxy]acetic acid
SMILESC[C@@H](c1cccc(OCC(=O)O)c1)N1CC[C@](C)(c2ccccc2)OC1=O
InChIInChI=1S/C21H23NO5/c1-15(16-7-6-10-18(13-16)26-14-19(23)24)22-12-11-21(2,27-20(22)25)17-8-4-3-5-9-17/h3-10,13,15H,11-12,14H2,1-2H3,(H,23,24)/t15-,21+/m0/s1
InChIKeyOHGVWMZNOICAAD-YCRPNKLZSA-N
MW369.42 g/mol
LogP3.97
Rot. Bonds6

About 2-[3-[(1S)-1-[(6R)-6-methyl-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenoxy]acetic acid

2-[3-[(1S)-1-[(6R)-6-methyl-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenoxy]acetic acid (PubChem CID 66857552) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[3-[(1S)-1-[(6R)-6-methyl-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(1S)-1-[(6R)-6-methyl-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenoxy]acetic acid
PubChem CID66857552
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name2-[3-[(1S)-1-[(6R)-6-methyl-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenoxy]acetic acid
SMILESC[C@@H](c1cccc(OCC(=O)O)c1)N1CC[C@](C)(c2ccccc2)OC1=O
InChIInChI=1S/C21H23NO5/c1-15(16-7-6-10-18(13-16)26-14-19(23)24)22-12-11-21(2,27-20(22)25)17-8-4-3-5-9-17/h3-10,13,15H,11-12,14H2,1-2H3,(H,23,24)/t15-,21+/m0/s1
InChIKeyOHGVWMZNOICAAD-YCRPNKLZSA-N
XLogP3.97
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(1S)-1-[(6R)-6-methyl-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenoxy]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[3-[(1S)-1-[(6S)-6-methyl-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenoxy]acetate
CID 66857031
(6S)-6-methyl-3-[(1S)-1-[3-(2-oxo-2-piperazin-1-ylethoxy)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 68726926
(6R)-3-[(1S)-1-[3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one
CID 68725051
3-[(1S)-1-(3-hydroxyphenyl)ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one;3-[(1S)-1-(3-methoxyphenyl)ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one;sulfane
CID 159792259
(6S)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one
CID 25182706
6-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one
CID 58109710
(6S)-6-methyl-6-(2-methylphenyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one
CID 68725837
9-hydroxy-3-[(1S)-1-(3-methoxyphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 160709287
3-[(6R)-3-[(1S)-1-(4-methylphenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanoic acid
CID 70952824
methyl 3-[(6R)-3-[(1S)-1-(3-bromophenyl)ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]propanoate
CID 66856533
2-[3-[(1S)-1-[[1-[3-(methanesulfonamido)phenyl]cyclopropanecarbonyl]amino]-2-pyrrolidin-1-ylethyl]phenoxy]acetic acid
CID 66685250
CID 88570474
CID 88570474

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1S)-1-[(6R)-6-methyl-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(1S)-1-[(6R)-6-methyl-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenoxy]acetic acid (CID 66857552) is 2-[3-[(1S)-1-[(6R)-6-methyl-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(1S)-1-[(6R)-6-methyl-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(1S)-1-[(6R)-6-methyl-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenoxy]acetic acid is C[C@@H](c1cccc(OCC(=O)O)c1)N1CC[C@](C)(c2ccccc2)OC1=O.
What is the InChIKey of 2-[3-[(1S)-1-[(6R)-6-methyl-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenoxy]acetic acid?
The InChIKey is OHGVWMZNOICAAD-YCRPNKLZSA-N. The full InChI is InChI=1S/C21H23NO5/c1-15(16-7-6-10-18(13-16)26-14-19(23)24)22-12-11-21(2,27-20(22)25)17-8-4-3-5-9-17/h3-10,13,15H,11-12,14H2,1-2H3,(H,23,24)/t15-,21+/m0/s1.
What are the key properties of 2-[3-[(1S)-1-[(6R)-6-methyl-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenoxy]acetic acid?
2-[3-[(1S)-1-[(6R)-6-methyl-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenoxy]acetic acid has a molecular weight of 369.42 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1S)-1-[(6R)-6-methyl-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenoxy]acetic acid is sourced from PubChem (CID 66857552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).