ethyl 5-(2-hydroxyethyl)-2-[(1R)-1-phenylethyl]-1,2-oxazolidine-3-carboxylate

C16H23NO4 — CID 11403620

IUPACethyl 5-(2-hydroxyethyl)-2-[(1R)-1-phenylethyl]-1,2-oxazolidine-3-carboxylate
SMILESCCOC(=O)C1CC(CCO)ON1[C@H](C)c1ccccc1
InChIInChI=1S/C16H23NO4/c1-3-20-16(19)15-11-14(9-10-18)21-17(15)12(2)13-7-5-4-6-8-13/h4-8,12,14-15,18H,3,9-11H2,1-2H3/t12-,14?,15?/m1/s1
InChIKeyHCJCTQUZSPDQQY-LRVUVFPRSA-N
MW293.36 g/mol
LogP2.07
Rot. Bonds6

About ethyl 5-(2-hydroxyethyl)-2-[(1R)-1-phenylethyl]-1,2-oxazolidine-3-carboxylate

ethyl 5-(2-hydroxyethyl)-2-[(1R)-1-phenylethyl]-1,2-oxazolidine-3-carboxylate (PubChem CID 11403620) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl 5-(2-hydroxyethyl)-2-[(1R)-1-phenylethyl]-1,2-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-hydroxyethyl)-2-[(1R)-1-phenylethyl]-1,2-oxazolidine-3-carboxylate
PubChem CID11403620
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nameethyl 5-(2-hydroxyethyl)-2-[(1R)-1-phenylethyl]-1,2-oxazolidine-3-carboxylate
SMILESCCOC(=O)C1CC(CCO)ON1[C@H](C)c1ccccc1
InChIInChI=1S/C16H23NO4/c1-3-20-16(19)15-11-14(9-10-18)21-17(15)12(2)13-7-5-4-6-8-13/h4-8,12,14-15,18H,3,9-11H2,1-2H3/t12-,14?,15?/m1/s1
InChIKeyHCJCTQUZSPDQQY-LRVUVFPRSA-N
XLogP2.07
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate
CID 286120
(2R,4S)-1-benzyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 11871888
1-Benzyl-4-hydroxy-pyrrolidine-2-carboxylic acid
CID 3107575
Methyl (2S,4R)-1-benzyl-4-hydroxypyrrolidine-2-carboxylate
CID 11470360
(2R,3aR,7R)-2-(2-hydroxyethyl)-7-phenyl-3,3a,6,7-tetrahydro-2H-[1,2]oxazolo[3,2-c][1,4]oxazin-4-one
CID 11844193
L-Proline, 4-hydroxy-1-(phenylmethyl)-, trans-
CID 6355921
dimethyl (2S,5S)-1-[(1S)-1-phenylethyl]pyrrolidine-2,5-dicarboxylate
CID 10979170
(2R,4S)-1-Benzyl-4-Hydroxy-pyrrolidine-2-carboxylic acid methyl ester
CID 14116991
(2S,4R)-1-Benzyl-4-hydroxy-pyrrolidine-2-carboxylic acid ethyl ester
CID 23248557
(2S,5R)-1-Benzyl-5-(methoxycarbonyl)pyrrolidine-2-carboxylic acid
CID 54201660
methyl (2S,4R)-1-[(3,4-difluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 142702505
butyl (2R,4R)-4-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylate
CID 146750393

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-hydroxyethyl)-2-[(1R)-1-phenylethyl]-1,2-oxazolidine-3-carboxylate?
The IUPAC name of ethyl 5-(2-hydroxyethyl)-2-[(1R)-1-phenylethyl]-1,2-oxazolidine-3-carboxylate (CID 11403620) is ethyl 5-(2-hydroxyethyl)-2-[(1R)-1-phenylethyl]-1,2-oxazolidine-3-carboxylate.
What is the SMILES notation for ethyl 5-(2-hydroxyethyl)-2-[(1R)-1-phenylethyl]-1,2-oxazolidine-3-carboxylate?
The canonical SMILES for ethyl 5-(2-hydroxyethyl)-2-[(1R)-1-phenylethyl]-1,2-oxazolidine-3-carboxylate is CCOC(=O)C1CC(CCO)ON1[C@H](C)c1ccccc1.
What is the InChIKey of ethyl 5-(2-hydroxyethyl)-2-[(1R)-1-phenylethyl]-1,2-oxazolidine-3-carboxylate?
The InChIKey is HCJCTQUZSPDQQY-LRVUVFPRSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-20-16(19)15-11-14(9-10-18)21-17(15)12(2)13-7-5-4-6-8-13/h4-8,12,14-15,18H,3,9-11H2,1-2H3/t12-,14?,15?/m1/s1.
What are the key properties of ethyl 5-(2-hydroxyethyl)-2-[(1R)-1-phenylethyl]-1,2-oxazolidine-3-carboxylate?
ethyl 5-(2-hydroxyethyl)-2-[(1R)-1-phenylethyl]-1,2-oxazolidine-3-carboxylate has a molecular weight of 293.36 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-hydroxyethyl)-2-[(1R)-1-phenylethyl]-1,2-oxazolidine-3-carboxylate is sourced from PubChem (CID 11403620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).