benzyl (3S,5S)-5-(morpholine-4-carbonyl)pyrrolidine-3-carboxylate

C17H22N2O4 — CID 126574351

IUPACbenzyl (3S,5S)-5-(morpholine-4-carbonyl)pyrrolidine-3-carboxylate
SMILESO=C(OCc1ccccc1)[C@@H]1CN[C@H](C(=O)N2CCOCC2)C1
InChIInChI=1S/C17H22N2O4/c20-16(19-6-8-22-9-7-19)15-10-14(11-18-15)17(21)23-12-13-4-2-1-3-5-13/h1-5,14-15,18H,6-12H2/t14-,15-/m0/s1
InChIKeyAJFVEMQFRHZOPL-GJZGRUSLSA-N
MW318.37 g/mol
LogP0.57
Rot. Bonds4

About benzyl (3S,5S)-5-(morpholine-4-carbonyl)pyrrolidine-3-carboxylate

benzyl (3S,5S)-5-(morpholine-4-carbonyl)pyrrolidine-3-carboxylate (PubChem CID 126574351) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is benzyl (3S,5S)-5-(morpholine-4-carbonyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl (3S,5S)-5-(morpholine-4-carbonyl)pyrrolidine-3-carboxylate
PubChem CID126574351
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Namebenzyl (3S,5S)-5-(morpholine-4-carbonyl)pyrrolidine-3-carboxylate
SMILESO=C(OCc1ccccc1)[C@@H]1CN[C@H](C(=O)N2CCOCC2)C1
InChIInChI=1S/C17H22N2O4/c20-16(19-6-8-22-9-7-19)15-10-14(11-18-15)17(21)23-12-13-4-2-1-3-5-13/h1-5,14-15,18H,6-12H2/t14-,15-/m0/s1
InChIKeyAJFVEMQFRHZOPL-GJZGRUSLSA-N
XLogP0.57
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl (3S,5S)-5-(methoxymethyl)pyrrolidine-3-carboxylate
CID 71148549
[(2S)-4-(phenylmethoxymethyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 126509276
benzyl 4-(piperazine-1-carbonyl)cyclohexane-1-carboxylate
CID 66773233
benzyl (3S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylate
CID 67755202
benzyl (4S)-2-oxo-1,3-oxazinane-4-carboxylate
CID 59668959
dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
benzyl (4R)-4-(morpholine-4-carbonyl)-1,3-thiazolidine-3-carboxylate
CID 14556728
benzyl 4-(hydroxymethyl)pyrrolidine-2-carboxylate
CID 123268049
[(2S,4S)-4-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 69169535
(3R)-3,5-bis(phenylmethoxycarbonyl)cyclohexane-1-carboxylic acid
CID 143048104
benzyl (3S)-morpholine-3-carboxylate;hydrochloride
CID 46839500
benzyl (3R)-morpholine-3-carboxylate;hydrochloride
CID 46839509

Frequently Asked Questions

What is the IUPAC name of benzyl (3S,5S)-5-(morpholine-4-carbonyl)pyrrolidine-3-carboxylate?
The IUPAC name of benzyl (3S,5S)-5-(morpholine-4-carbonyl)pyrrolidine-3-carboxylate (CID 126574351) is benzyl (3S,5S)-5-(morpholine-4-carbonyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for benzyl (3S,5S)-5-(morpholine-4-carbonyl)pyrrolidine-3-carboxylate?
The canonical SMILES for benzyl (3S,5S)-5-(morpholine-4-carbonyl)pyrrolidine-3-carboxylate is O=C(OCc1ccccc1)[C@@H]1CN[C@H](C(=O)N2CCOCC2)C1.
What is the InChIKey of benzyl (3S,5S)-5-(morpholine-4-carbonyl)pyrrolidine-3-carboxylate?
The InChIKey is AJFVEMQFRHZOPL-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H22N2O4/c20-16(19-6-8-22-9-7-19)15-10-14(11-18-15)17(21)23-12-13-4-2-1-3-5-13/h1-5,14-15,18H,6-12H2/t14-,15-/m0/s1.
What are the key properties of benzyl (3S,5S)-5-(morpholine-4-carbonyl)pyrrolidine-3-carboxylate?
benzyl (3S,5S)-5-(morpholine-4-carbonyl)pyrrolidine-3-carboxylate has a molecular weight of 318.37 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3S,5S)-5-(morpholine-4-carbonyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 126574351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).