methyl (2S)-1-[(2S,3S,5S)-5-hydroxy-5-methyl-2-phenyloxolane-3-carbonyl]pyrrolidine-2-carboxylate

C18H23NO5 — CID 11974371

IUPACmethyl (2S)-1-[(2S,3S,5S)-5-hydroxy-5-methyl-2-phenyloxolane-3-carbonyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1C(=O)[C@H]1C[C@@](C)(O)O[C@@H]1c1ccccc1
InChIInChI=1S/C18H23NO5/c1-18(22)11-13(15(24-18)12-7-4-3-5-8-12)16(20)19-10-6-9-14(19)17(21)23-2/h3-5,7-8,13-15,22H,6,9-11H2,1-2H3/t13-,14-,15+,18-/m0/s1
InChIKeySJPLKSATJIPVGJ-AFIMGQEJSA-N
MW333.38 g/mol
LogP1.64
Rot. Bonds3

About methyl (2S)-1-[(2S,3S,5S)-5-hydroxy-5-methyl-2-phenyloxolane-3-carbonyl]pyrrolidine-2-carboxylate

methyl (2S)-1-[(2S,3S,5S)-5-hydroxy-5-methyl-2-phenyloxolane-3-carbonyl]pyrrolidine-2-carboxylate (PubChem CID 11974371) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is methyl (2S)-1-[(2S,3S,5S)-5-hydroxy-5-methyl-2-phenyloxolane-3-carbonyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-[(2S,3S,5S)-5-hydroxy-5-methyl-2-phenyloxolane-3-carbonyl]pyrrolidine-2-carboxylate
PubChem CID11974371
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Namemethyl (2S)-1-[(2S,3S,5S)-5-hydroxy-5-methyl-2-phenyloxolane-3-carbonyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1C(=O)[C@H]1C[C@@](C)(O)O[C@@H]1c1ccccc1
InChIInChI=1S/C18H23NO5/c1-18(22)11-13(15(24-18)12-7-4-3-5-8-12)16(20)19-10-6-9-14(19)17(21)23-2/h3-5,7-8,13-15,22H,6,9-11H2,1-2H3/t13-,14-,15+,18-/m0/s1
InChIKeySJPLKSATJIPVGJ-AFIMGQEJSA-N
XLogP1.64
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-1-[(2S,3S,5S)-5-hydroxy-5-methyl-2-phenyloxolane-3-carbonyl]pyrrolidine-2-carboxylate with MolForge

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Related Compounds

Z-O-tert-butyl-L-trans-4-hydroxyproline
CID 2802356
Boc-Hyp(Bzl)-OH
CID 11860409
(2S,4R)-1-(2-methyl-3-sulfanylpropanoyl)-4-phenylmethoxypyrrolidine-2-carboxylic acid
CID 14036321
(2S,4S)-1-(2-methyl-3-sulfanylpropanoyl)-4-phenylmethoxypyrrolidine-2-carboxylic acid
CID 14036322
(2S,4S)-4-(benzyloxy)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxylic acid
CID 89677468
(2S,4R)-4-(benzyloxy)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxylic acid
CID 89677779
N-Cbz-cis-4-Hydroxy-L-proline methyl ester
CID 688413
1-(Phenylmethyl) (2R,4R)-4-methoxy-1,2-pyrrolidinedicarboxylate
CID 11687747
(2S,4R)-1-[(benzyloxy)carbonyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 12849521
2-O-benzyl 1-O-tert-butyl (2S,4S)-4-hydroxy-4-(trifluoromethyl)pyrrolidine-1,2-dicarboxylate
CID 10927235
N-Boc (2R,3R,4S)-3-fluoro-4-hydroxypyrrolidine-2-carboxylic acid benzyl ester
CID 134358842
N-Boc (2R,3R,4R)-3-fluoro-4-hydroxypyrrolidine-2-carboxylic acid benzyl ester
CID 139427142

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-[(2S,3S,5S)-5-hydroxy-5-methyl-2-phenyloxolane-3-carbonyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-[(2S,3S,5S)-5-hydroxy-5-methyl-2-phenyloxolane-3-carbonyl]pyrrolidine-2-carboxylate (CID 11974371) is methyl (2S)-1-[(2S,3S,5S)-5-hydroxy-5-methyl-2-phenyloxolane-3-carbonyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-[(2S,3S,5S)-5-hydroxy-5-methyl-2-phenyloxolane-3-carbonyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-[(2S,3S,5S)-5-hydroxy-5-methyl-2-phenyloxolane-3-carbonyl]pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCCN1C(=O)[C@H]1C[C@@](C)(O)O[C@@H]1c1ccccc1.
What is the InChIKey of methyl (2S)-1-[(2S,3S,5S)-5-hydroxy-5-methyl-2-phenyloxolane-3-carbonyl]pyrrolidine-2-carboxylate?
The InChIKey is SJPLKSATJIPVGJ-AFIMGQEJSA-N. The full InChI is InChI=1S/C18H23NO5/c1-18(22)11-13(15(24-18)12-7-4-3-5-8-12)16(20)19-10-6-9-14(19)17(21)23-2/h3-5,7-8,13-15,22H,6,9-11H2,1-2H3/t13-,14-,15+,18-/m0/s1.
What are the key properties of methyl (2S)-1-[(2S,3S,5S)-5-hydroxy-5-methyl-2-phenyloxolane-3-carbonyl]pyrrolidine-2-carboxylate?
methyl (2S)-1-[(2S,3S,5S)-5-hydroxy-5-methyl-2-phenyloxolane-3-carbonyl]pyrrolidine-2-carboxylate has a molecular weight of 333.38 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-[(2S,3S,5S)-5-hydroxy-5-methyl-2-phenyloxolane-3-carbonyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 11974371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).